Dataset
| S.No | PDB ID | Interacting Chains | Protein 1 Name | Protein 2 Name | UniProt IDs | Protein complex type | Type of Pass | Functional Class | Experimental affinity ΔG (kcal/mol) |
|---|---|---|---|---|---|---|---|---|---|
| 1 | 1B6C | A:B | FKBP binding protein | TGF-beta receptor | P62942, P36897 | MP-GP | Single-pass | Enzyme | -8.93 |
| 2 | 1F47 | A:B | Escherichia coli cell division protein/eukaryotic tubulin homolog FtsZ | Escherichia coli cell division protein ZipA | P0A9A6, P77173 | MP-GP | Single-pass | Enzyme | -6.36 |
| 3 | 1KTZ | A:B | Human transforming growth factor beta 3 | TGF-beta Type II Receptor | P10600, P37173 | MP-GP | Single-pass | Enzyme | -9.02 |
| 4 | 2KSO | A:B | Ephrin type-A receptor 2 SAM | SHIP2 SAM | P29317, O15357 | MP-GP | Single-pass | Enzyme | -7.2 |
| 5 | 3MZW | B:A | Affibody ZHER2:342 | ErbB-2 | P38507, P04626 | MP-GP | Single-pass | Enzyme | -14.64 |
| 6 | 3OED | C:A | Human Complement Receptor 2 | Complement C3 | P20023, P01024 | MP-GP | Single-pass | Enzyme | -8.59 |
| 7 | 3ZKQ | A:D | Beta-Secretase 2 | Xaperone XA4813 | Q9Y5Z0, - | MP-GP | Single-pass | Enzyme | -12.16 |
| 8 | 4QZV | A:B | T-cell activation antigen CD26 | Bat-derived coronavirus HKU4-RBD | P27487, A3EX94 | MP-MP | Single-pass | Enzyme | -6.06 |
| 9 | 5KY4 | A:B | Protein O-fucosyltransferase 1 | Notch1 EGF-like domain, EGF26 | Q91ZW2, Q01705 | MP-GP | Single-pass | Enzyme | -6.61 |
| 10 | 6ATK | A:D | Human Aminopeptidase N (hAPN) | Spike glycoprotein, HCoV-229E RBD | P15144, P15423 | MP-MP | Single-pass | Enzyme | -8.68 |
| 11 | 6E2P | A:C | Tyrosine-protein kinase JAK2 | Leptin receptor, LEPR | O60674, P48357 | MP-GP | Single-pass | Enzyme | -6.45 |
| 12 | 1DE4 | A:C | Hemochromatosis protein (HFE) | Transferrin receptor | Q30201, P02786 | MP-MP | Single-pass | Transporter | -10.07 |
| 13 | 1IAR | A:B | Human interleukin-4 (hIL-4) | Human interleukin-4 receptor alpha (hIL-4Ra) | P05112, P24394 | MP-GP | Single-pass | Transporter | -13.37 |
| 14 | 1T0P | B:A | Intercellular adhesion molecule 3 (ICAM-3) | Integrin alpha-L (LFA-1A) | P32942, P20701 | MP-MP | Single-pass | Transporter | -6.79 |
| 15 | 1T6B | X:Y | Anthrax protective antigen, PA83 | Anthrax toxin receptor CMG2 VWA domain (CMG235–225) | P13423, P58335 | MP-MP | Single-pass | Transporter | -12.75 |
| 16 | 2AJF | A:E | Human angiotensin-converting enzyme 2 | Human SARS spike protein receptor binding domain | Q9BYF1, P59594 | MP-MP | Single-pass | Transporter | -9.99 |
| 17 | 2HLE | A:B | Human ephrin type-B receptor 4 | Human ephrin-B2 | P54760, P52799 | MP-MP | Single-pass | Transporter | -10.09 |
| 18 | 2J12 | A:B | Human adenovirus D37 fiber protein | Human coxsackie virus and adenovirus receptor (CAR) | Q64823, P78310 | MP-GP | Single-pass | Transporter | -10.5 |
| 19 | 2K2S | A:B | Micronemal protein 1 Galectin-like domain | Micronemal protein 6 | O00834, Q9XYH7 | MP-MP | Single-pass | Transporter | -9.92 |
| 20 | 2L29 | A:B | Human IGF2R domain 11 | Human Insulin-like growth factor II, IGF-II | P11717, P01344 | MP-GP | Single-pass | Transporter | -10 |
| 21 | 2MEJ | A:B | BCL-xL | P53 Core Domain DBD | Q07817, P04637 | MP-GP | Single-pass | Transporter | -6.5 |
| 22 | 2RR3 | A:B | Human Vesicle-associated membrane protein-associated protein A, VAP-A MSP domain | Human Oxysterol-binding protein 1, OSBP FFAT motif | Q9P0L0, P22059 | MP-GP | Single-pass | Transporter | -7.61 |
| 23 | 2V8S | V:E | Vti1b | EPNR | Q96J28, Q14677 | MP-MP | Single-pass | Transporter | -6.24 |
| 24 | 2XB6 | A:C | Neuroligin-4 Cholinesterase-Like Domain | Neurexin-1-beta | Q8N0W4, Q63373 | MP-GP | Single-pass | Transporter | -9.46 |
| 25 | 2Y9M | A:B | Ubiquitin-conjugating Enzyme E2-21 KDA, Pex4p UBC domain(15-183) | Peroxisome Assembly Protein 22, Pex22p Soluble Domain | P29340, P39718 | MP-GP | Single-pass | Transporter | -11.86 |
| 26 | 3BN3 | B:A | Intercellular adhesion molecule 5 (ICAM-5) | Integrin alpha-L (LFA-1A) | Q9UMF0, P20701 | MP-MP | Single-pass | Transporter | -6.41 |
| 27 | 3DXC | A:B | Fe65-PTB2 | APP intracellular domain (AICD-C50) | O00213, P05067 | MP-GP | Single-pass | Transporter | -9.09 |
| 28 | 3G9W | A:D | Talin-2 F3 | Integrin beta-1D (β1D) | Q71LX4, P05556 | MP-MP | Single-pass | Transporter | -6.06 |
| 29 | 3GQI | A:B | Activated tyrosine kinase domain of FGFR1 | Phospholipase C-gamma-1 (Plcg1) | P11362, P10686 | MP-GP | Single-pass | Transporter | -10.2 |
| 30 | 3MA2 | D:C | Matrix metalloproteinase-14 | Metalloproteinase inhibitor 1 | P50281, P01033 | MP-GP | Single-pass | Transporter | -7.93 |
| 31 | 3UZ0 | A:B | SpoIIIAH (90-218) | SpoIIQ (73-220) | P49785, P71044 | MP-MP | Single-pass | Transporter | -8.52 |
| 32 | 4U0Q | A:B | Full length Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) | Basigin | B2L3N7, P35613 | MP-GP | Single-pass | Transporter | -7.99 |
| 33 | 4YL8 | A:B | Moesin-FERM | Crb-CT peptide | P26041, P10040 | MP-GP | Single-pass | Transporter | -7.18 |
| 34 | 5F4E | A:B | Sperm-egg fusion protein Izumo | Sperm-egg fusion protein Juno | Q8IYV9, A6ND01 | MP-MP | Single-pass | Transporter | -9.75 |
| 35 | 5WOS | A:B | CNPV058 bcl-2 like protein, CNP058 | Bim | Q6VZT9, O43521 | MP-MP | Single-pass | Transporter | -8.8 |
| 36 | 6GBH | A:B | Helicobacter pylori adhesin HopQ type II (HopQAD-II) | N-terminal domain of human CEACAM1 (C1ND) | Q8GDI6, P13688 | MP-GP | Single-pass | Transporter | -9.76 |
| 37 | 1AXI | A:B | Human growth hormone (hGH) | Human growth hormone receptor (hGHR) | P01241, P10912 | MP-GP | Single-pass | Receptor | -12.98 |
| 38 | 1PVH | A:B | IL6 receptor β chain D2-D3 domains | Leukemia inhibitory factor | P40189, P15018 | MP-GP | Single-pass | Receptor | -9.51 |
| 39 | 2FDB | P:M | FGFR2c | FGF8b | P21802, P55075 | MP-GP | Single-pass | Receptor | -9.28 |
| 40 | 2KRI | A:B | Domain V of beta2-glycoprotein I | Fourth ligand-binding module from LDLR | P02749, P01130 | MP-GP | Single-pass | Receptor | -5.91 |
| 41 | 2MFQ | A:B | Fibroblast growth factor receptor substrate 2, FRS2a PTB domain | Neurotrophin receptor TrkB | Q8WU20, Q16620 | MP-GP | Single-pass | Receptor | -7.2 |
| 42 | 2PTT | B:A | NK cell receptor 2B4 (CD244) | CD48 antigen | Q07763, P18181 | MP-GP | Single-pass | Receptor | -7.36 |
| 43 | 2Q7N | A:B | Mouse Leukemia inhibitory factor receptor | Human Leukemia inhibitory factor | P42703, P15018 | MP-GP | Single-pass | Receptor | -15 |
| 44 | 2V9T | A:B | Roundabout homolog 1 Ig domain | Slit homolog 2 protein D2 | Q9Y6N7, O94813 | MP-GP | Single-pass | Receptor | -11.03 |
| 45 | 2Z3Q | B:A | Interleukin-15 receptor subunit alpha, IL-15Ra | Interleukin-15, IL-15 | Q13261, P40933 | MP-GP | Single-pass | Receptor | -14.21 |
| 46 | 3AU4 | A:B | Human myosin-X MyTH4-FERM cassette | Netrin receptor DCC | Q9HD67, P43146 | MP-GP | Single-pass | Receptor | -8.41 |
| 47 | 3DGC | L:R | Interleukin-22 | Interleukin-22 receptor subunit alpha-1 (sIL-22R1) | Q9GZX6, Q9HB22 | MP-GP | Single-pass | Receptor | -10.32 |
| 48 | 3DI2 | A:B | Interleukin-7 | Unglycosylated human interleukin-7 receptor alpha ectodomain | P13232, P16871 | MP-GP | Single-pass | Receptor | -6.47 |
| 49 | 3F7P | A:C | Plectin 1C (1–293) | Integrin beta-4 fragment 1126–1370 (FnIII-1,2+CS) | Q15149, P16144 | MP-GP | Single-pass | Receptor | -6.15 |
| 50 | 3MJ7 | A:B | Junctional adhesion molecule-like, JAML | Coxsackie and Adenovirus receptor, CAR | Q80UL9, P97792 | MP-MP | Single-pass | Receptor | -7.06 |
| 51 | 3MZG | A:B | Prolactin | Prolactin receptor | P01236, P16471 | MP-GP | Single-pass | Receptor | -9.79 |
| 52 | 3OL2 | B:A | Plexin-B1 | Semaphorin-4D | O43157, Q92854 | MP-MP | Single-pass | Receptor | -7.17 |
| 53 | 3ONA | A:B | Tumour necrosis factor receptor SECRET domain | CX3CL1 protein | Q7TDW8, P78423 | MP-GP | Single-pass | Receptor | -8.41 |
| 54 | 3QBQ | A:B | RANKL | RANK | O35235, O35305 | MP-MP | Single-pass | Receptor | -9.2 |
| 55 | 3R4D | B:A | N-terminal domain of Mouse hepatitis coronavirus (MHV) | Receptor murine carcinoembryonic antigenrelated cell adhesion molecule 1a (mCEACAM1a) | Q9J3E7, P31809 | MP-MP | Single-pass | Receptor | -10.46 |
| 56 | 3S9D | A:B | Interferon alpha-2 | Interferon alpha/beta receptor 2 | P01563, P48551 | MP-GP | Single-pass | Receptor | -11.49 |
| 57 | 3SE4 | B:C | Interferon omega-1 | Interferon alpha/beta receptor 2 | P05000, P48551 | MP-GP | Single-pass | Receptor | -11.86 |
| 58 | 4BFI | A:B | Cell surface glycoprotein CD200 receptor, CD200R | Cell surface glycoprotein CD200 | Q9ES57, O54901 | MP-MP | Single-pass | Receptor | -8.48 |
| 59 | 4K71 | A:B | Human Serum Albumin (HSA) | Neonatal Fc Receptor (FcRn) | P02768, P55899 | MP-GP | Single-pass | Receptor | -8.16 |
| 60 | 4MYW | A:B | HSV-2 gD | Nectin-1 | P03172, Q15223 | MP-GP | Single-pass | Receptor | -10.52 |
| 61 | 4PBW | E :B | Chicken receptor protein tyrosine phosphatase sigma, Ig1-3 | Neurotrophic tyrosine kinase receptor type 3,TrkC | F1NWE3, Q91044 | MP-MP | Single-pass | Receptor | -8.53 |
| 62 | 4QT8 | A:C | Macrophage-stimulating protein receptor, RON Sema-PSI-IPT1 | Macrophage-stimulating protein, MSP beta-chain | Q04912, P26927 | MP-GP | Single-pass | Receptor | -8.78 |
| 63 | 4XSS | B:E | Human insulin-like growth factor I (IGF-I) | Human insulin receptor (IR) | P05019, P08069 | MP-GP | Single-pass | Receptor | -11.23 |
| 64 | 5MN2 | A:D | Fc gamma receptor IIIa | Affimer G3, AfG3 | P08637, - | MP-GP | Single-pass | Receptor | -7.61 |
| 65 | 5OYL | A:D | Vesicular stomatitis virus (VSV) Glycoprotein G, Gth | Low-density lipoprotein receptor CR2 domain | B7UCZ5, P01130 | MP-GP | Single-pass | Receptor | -6.87 |
| 66 | 5TZN | A:F | Natural killer cell receptor NKR-P1B (B6) | Viral immunoevasin m12 (Smith) | Q99JB4, D3XDJ6 | MP-GP | Single-pass | Receptor | -7.14 |
| 67 | 5V52 | A:D | T-cell immunoreceptor with Ig and ITIM domains (TIGIT) | Nectin-2 (CD112) D1 | Q495A1, Q92692 | MP-MP | Single-pass | Receptor | -7.41 |
| 68 | 6ARQ | A:D | T-cell surface protein tactile, CD96-D1 | Nectin-like protein 5,NECL-5 | P40200 , P15151 | MP-MP | Single-pass | Receptor | -6.81 |
| 69 | 6BXA | A:C | N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) | Lamprey Variable Lymphocyte Receptor 2 (VLR2) | F8W3J5, - | MP-GP | Single-pass | Receptor | -10.09 |
| 70 | 6FG8 | A:B | Somatic embryogenesis receptor kinase 1 | Probable inactive receptor kinase At1g27190 | Q94AG2, O04567 | MP-MP | Single-pass | Receptor | -8.19 |
| 71 | 1SQ0 | A:B | Von Willebrand Factor A1 domain | Glycoprotein IB-α | P04275, P07359 | MP-GP | Single-pass | Miscellaneous | -10.26 |
| 72 | 2ES4 | A:D | Lipase | Lipase-specific foldase (Lif) | P0DUB9, Q05490 | MP-GP | Single-pass | Miscellaneous | -11.32 |
| 73 | 2VSM | A:B | Nipah Virus Attachment Glycoprotein | Ephrin-B2 | Q9IH62, P52799 | MP-MP | Single-pass | Miscellaneous | -10.17 |
| 74 | 2WY3 | A:B | MHC Class I Polypeptide-Related Sequence B (MIC-B) | Protein UL16 | Q29980, P16757 | MP-GP | Single-pass | Miscellaneous | -9.79 |
| 75 | 2X9A | D:C | TolA C-terminal domain | G3P TolA binding domain | Q8X965, O80297 | MP-GP | Single-pass | Miscellaneous | -7.3 |
| 76 | 2Y8T | A:B | Apical membrane antigen 1 | Rhoptry neck protein 2 | B6KAM0, B6KV60 | MP-MP | Single-pass | Miscellaneous | -10.7 |
| 77 | 3C9A | B:D | Argos217 | Spitz EGF-domain(SpitzEGF: residues 48-99) | Q00805, Q01083 | MP-GP | Single-pass | Miscellaneous | -11.06 |
| 78 | 3L9J | C:T | Human TNF alpha | TNF alpha Antagonist TN-2-B-1-C31 | P05452, P01375 | MP-GP | Single-pass | Miscellaneous | -12.91 |
| 79 | 3OKY | A:B | Plexin-A2 | Semaphorin-6A | P70207, O35464 | MP-MP | Single-pass | Miscellaneous | -8.03 |
| 80 | 3Q3J | A:B | Plexin-A2 | Rnd-1 | O75051, Q92730 | MP-GP | Single-pass | Miscellaneous | -7.03 |
| 81 | 3VEP | X:D | ASD domain of negative regulator RsdA | Probable RNA polymerase sigma-D factor 4 (ÃÆ’D4) | P9WJ71, P9WGG9 | MP-GP | Single-pass | Miscellaneous | -6.8 |
| 82 | 3ZYI | A:B | NetrinG ligands (NGLs) NGL2 | NETRIN-G2 protein | Q9HBW1, Q96CW9 | MP-GP | Single-pass | Miscellaneous | -11.09 |
| 83 | 4BQ6 | B:F | Neogenin | Repulsive guidance molecule B | P97798, Q6NW40 | MP-GP | Single-pass | Miscellaneous | -10.32 |
| 84 | 4CDK | A:E | E3 Ubiquitin-Protein Ligase ZNRF3 | R-SPONDIN-1 (RSPO1) | Q5SSZ7, Q2MKA7 | MP-GP | Single-pass | Miscellaneous | -7.8 |
| 85 | 4H5S | A:B | Cytotoxic and regulatory T-cell molecule, CRTAMv | Cell adhesion molecule 1, Necl-2v | O95727, Q9BY67 | MP-MP | Single-pass | Miscellaneous | -6.69 |
| 86 | 4HDQ | A:B | Krev interaction trapped protein 1 & Ras-related protein Rap-1b | Protein HEG homolog 1 | O00522, P61224 | MP-GP | Single-pass | Miscellaneous | -8.2 |
| 87 | 4KBB | A:C | Botulinum neurotoxin type B | Synaptotagmin-2 | P10844, P46097 | MP-GP | Single-pass | Miscellaneous | -9.2 |
| 88 | 4NQW | A:B | ECF RNA polymerase sigma factor SigK | Anti-sigma-K factor RskA | P9WGH7, P9WGX5 | MP-GP | Single-pass | Miscellaneous | -8.69 |
| 89 | 4OYD | A:B | Apoptosis regulator BHRF1 | Computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | P0C6Z1, - | MP-GP | Single-pass | Miscellaneous | -13.39 |
| 90 | 4XXW | B:C | Protocadherin-15, pcdh15(N2) | Cadherin-23 | Q99PJ1, Q99PF4 | MP-GP | Single-pass | Miscellaneous | -7.21 |
| 91 | 5LZ3 | A:B | Human ACBD3 GOLD domain | 3A protein of Aichivirus A | Q9H3P7, O91464 | MP-GP | Single-pass | Miscellaneous | -6.33 |
| 92 | 5LZ6 | A:B | Human ACBD3 GOLD domain | 3A protein of Aichivirus B | Q9H3P7, O91464 | MP-GP | Single-pass | Miscellaneous | -6.83 |
| 93 | 6H9O | A :B | E. coli Cell division protein FtsQ (58-276) | E. coli Cell division protein FtsB (22-103) | P06136, B7MKM2 | MP-MP | Single-pass | Miscellaneous | -8.17 |
| 94 | 2A9H | A:E | Potassium channel KcsA | Charybdotoxin | P0A334, P13487 | MP-GP | Multi-pass | Transporter | -8.24 |
| 95 | 2HQW | A:B | Calcium saturated CaM | NR1C1 (peptide spanning 875-898) | P0DP31, Q05586 | MP-GP | Multi-pass | Miscellaneous | -11.74 |
| 96 | 2LVO | C:A | E3 ubiquitin-protein ligase AMFR, gp78 CUE domain | Ubiquitin | Q9UKV5, P0CG48 | MP-GP | Multi-pass | Enzyme | -6.67 |
| 97 | 2VDA | A:B | Translocase subunit SecA | Signal peptide KRR-LamB | P10408, Q8CVI4 | MP-GP | Multi-pass | Transporter | -7.53 |
| 98 | 2YGG | B:A | Calmodulin | Human Na+/H+ exchanger NHE1 regulatory region (CAM BINDING REGION, 622-689) | P0DP29, P19634 | MP-GP | Multi-pass | Miscellaneous | -10.5 |
| 99 | 3AJB | A:B | Peroxisomal biogenesis factor 3, Pex3p | Peroxisomal biogenesis factor 19, Pex19p | P56589, P40855 | MP-MP | Multi-pass | Transporter | -10.08 |
| 100 | 3C4M | A:C | Parathyroid hormone/parathyroid hormone-related peptide receptor | Parathyroid hormone | Q03431, P01270 | MP-GP | Multi-pass | G-protein coupled receptor | -8.19 |
| 101 | 3H8K | A:B | Ubiquitin-conjugating enzyme E2 G2 (Ube2g2) | G2BR domain of gp78 (G2BR) | P60604, Q9UKV5 | MP-GP | Multi-pass | Enzyme | -10.47 |
| 102 | 3QLU | A:C | Glutamate receptor, ionotropic kainate 5 (KA2) | Glutamate receptor, ionotropic kainate 2 delta 1(GluR6) | Q63273, P42260 | MP-MP | Multi-pass | Receptor | -10.67 |
| 103 | 4F0A | A:B | Frizzled-8 | Protein Wnt-8 | Q61091, P28026 | MP-GP | Multi-pass | G-protein coupled receptor | -7.66 |
| 104 | 4LAD | A:B | Conjugating enzyme Ube2g2 | Ubiquitin ligase gp78, with domain RING and G2BR | P60604, Q9UKV5 | MP-GP | Multi-pass | Enzyme | -10.12 |
| 105 | 4OVN | A:F | Calmodulin | Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain | P0DP23, Q14524 | MP-GP | Multi-pass | Miscellaneous | -10 |
| 106 | 4ZW2 | A:B | Voltage-gated calcium channel dihydropyridine receptor | Alpha interaction domain | Q8R3Z5, Q02789 | MP-GP | Multi-pass | Transporter | -11.33 |
| 107 | 5CMN | A:E | Leucine-rich repeat transmembrane protein FLRT3 LRR domain | Latrophilin-3, LPHN3 Olfactomedin domain | Q9NZU0, Q9HAR2 | MP-MP | Multi-pass | Miscellaneous | -9.08 |
| 108 | 5JLV | A:C | BoNT/A1 receptor-binding domain, HCA | Glycosylated human SV2C (gSV2C) | P0DPI1, Q496J9 | MP-MP | Multi-pass | Receptor | -10.67 |
| 109 | 5UN5 | A:D | Frizzled-8, FZD8 CRD | Designed Wnt agonist B12 | Q9H461, - | MP-GP | Multi-pass | G-protein coupled receptor | -10.56 |
| 110 | 6AAF | A:B | Schizosaccharomyces pombe fission yeast Atg8 | Schizosaccharomyces pombe Helical AIM of Hfl1 | O94272, Q09906 | MP-GP | Multi-pass | Miscellaneous | -9.26 |
| 111 | 6BX4 | A:C | Fluoride channel Fluc Ec2 | Monobody S9 | Q6J5N4, - | MP-GP | Multi-pass | Transporter | -8.98 |
| 112 | 6CH2 | A:D | Flagellar biosynthesis protein FlhA, FlhAC | FliT-FliD complex | P40729, P0A1N3 | MP-GP | Multi-pass | Transporter | -6.19 |
| 113 | 6CH3 | A:B | Flagellar biosynthesis protein FlhA, FlhAC | FliS-FliC complex | P40729 , P06179, P26609 | MP-GP | Multi-pass | Transporter | -6.82 |
| 114 | 6F3Z | A:B | Lipoprotein-releasing system transmembrane protein LolC | Outer-membrane lipoprotein carrier protein | P0ADC3 , P61316 | MP-GP | Multi-pass | Transporter | -8.72 |