BDB Data - Benchmark
MimoBench: a benchmark for mimotope-based site mapping

To predict the protein interaction site based on mimotopes is a fascinating work for computational biologists. Quite a few methods and tools such as SiteLight, 3DEX, MIMOP, MIMOX, Mapitope, Pepsurf, Pepitope, Pep-3D-Search, and Episearch etc. have been developed in recent years. Benchmark datasets are desperately needed for tool evaluation and new algorithm development. MimoBench is a benchmark dataset derived from the BDB database. There are 24 sets of biopanning data for antibody-antigen interactions with complex structure solved, 24 sets of biopanning data with solved structures of corresponding receptor-ligand complex and 31 sets of biopanning data for other protein-protein interactions with complex structure solved. In total, it makes a benchmark with 79 sets of data for mimotope-based protein-protein interaction study. This data set will be not only useful for benchmarking the existing tools, but also helpful for developing new and better algorithm to predict protein-protein interaction sites based on mimotopes. (Click here to download the benchmark data set)


PDBID Target Chains Template Chains BiopanningData entry Mimotope size

Antibody-Antigen Complex
1E6J 13b5 HL Capsid protein p24 (CA) P 186 12x16
1G9M 17b HL Envelope glycoprotein gp120 (SU) G 185 12x11
1G9M Envelope glycoprotein gp120 (SU) G 17b HL 742 7x3, 12x7
1IQD BO2C11 AB Coagulation factor VIII C 54 10x4, 12x23
1N8Z Trastuzumab AB Receptor tyrosine-protein kinase erbB-2 C 49 10x5
1N8Z Trastuzumab AB Receptor tyrosine-protein kinase erbB-2 C 99 12x2
1N8Z Trastuzumab AB Receptor tyrosine-protein kinase erbB-2 C 1231 12x8
1TET TE33 HL Heat-labile enterotoxin B chain P 29 9x10
1TET TE33 HL Heat-labile enterotoxin B chain P 30 9x5
1YY9 Cetuximab CD Epidermal growth factor receptor A 48 10x4
1ZTX E16 HL Envelope protein E 1230 14x22
2ADF 82D6A3 HL von Willebrand factor (vWF) A 52 15x2
2ADF 82D6A3 HL von Willebrand factor (vWF) A 53 6x3
2ADF 82D6A3 HL von Willebrand factor (vWF) A 2058 6x2
2GHW 80R D Spike glycoprotein C 55 15x18
2GHW 80R D Spike glycoprotein C 56 13x42
2NY7 b12 H Surface protein gp120 (SU) G 57 12x1, 17x1
2NY7 b12 H Surface protein gp120 (SU) G 58 15x14, 21x18
2NY7 b12 H Surface protein gp120 (SU) G 59 12x19
2NY7 b12 H Surface protein gp120 (SU) G 1443 13x8
2NY7 b12 H Surface protein gp120 (SU) G 1444 15x10
2OSL Rituximab AB B-lymphocyte antigen CD20 Q 12 7x13
2OSL Rituximab AB B-lymphocyte antigen CD20 Q 242 12x7
3IU3 Basiliximab HL Interleukin-2 receptor subunit alpha (IL2-RA) I 13 7x6

Ligand-Receptor Complex
1DU3 TNF-related apoptosis-inducing ligand receptor 2 (TRAIL-R2) CGI TNF-related apoptosis-inducing ligand (Protein TRAIL) L 671 7x13
1EER Erythropoietin receptor (EPO-R) BC Erythropoietin A 984 8x1
1EV2 Fibroblast growth factor receptor 2 (FGFR-2) FGH Basic fibroblast growth factor (BFGF) B 1105 7x10
1EV2 Fibroblast growth factor receptor 2 (FGFR-2) FGH Basic fibroblast growth factor (BFGF) B 1110 7x10
1EV2 Fibroblast growth factor receptor 2 (FGFR-2) FGH Basic fibroblast growth factor (BFGF) B 1115 7x10
1FLT Vascular endothelial growth factor receptor 1 (VEGFR-1) Y Vascular endothelial growth factor A (VEGF-A) VW 164 12x7
1FLT Vascular endothelial growth factor A (VEGF-A) VW Vascular endothelial growth factor receptor 1 (VEGFR-1) Y 357 7x4
1MQ8 Major group rhinovirus receptor (ICAM-1) A Integrin alpha-L beta-2 B 1004 14x1
1MQ8 Major group rhinovirus receptor (ICAM-1) A Integrin alpha-L beta-2 B 1061 7x14
1MQ8 Major group rhinovirus receptor (ICAM-1) A Integrin alpha-L beta-2 B 1062 16x8
1MQ8 Major group rhinovirus receptor (ICAM-1) A Integrin alpha-L beta-2 B 1063 16x1
1P9M Interleukin-6 (IL-6) B Interleukin-6 receptor AC 1456 7x18
1P9M Interleukin-6 (IL-6) B Interleukin-6 receptor AC 1654 19x7
1P9M Interleukin-6 (IL-6) B Interleukin-6 receptor AC 1655 19x5
2DSQ Insulin-like growth factor-binding protein 1 (IGFBP-1) G Insulin-like growth factor I (IGF-I) I 1489 20x1
2DSQ Insulin-like growth factor-binding protein 1 (IGFBP-1) G Insulin-like growth factor I (IGF-I) I 1490 18x2
2DSQ Insulin-like growth factor-binding protein 1 (IGFBP-1) G Insulin-like growth factor I (IGF-I) I 1491 20x1
2FD6 Urokinase plasminogen activator surface receptor (uPAR) U Urokinase-type plasminogen activator (uPA) A 976 15x19
2GRX Protein tonB C Ferrichrome-iron receptor A 276 12x12
2GRX Protein tonB C Ferrichrome-iron receptor A 277 7x6
2GSK Protein tonB B Cobalamin receptor A 278 12x2
2GSK Protein tonB B Cobalamin receptor A 279 7x6
2HYM Interferon alpha/beta receptor 2 (IFN-R-2) A Interferon alpha-2 B 1759 7x10
4K3J Hepatocyte growth factor receptor B Hepatocyte growth factor A 405 12x3

Other Protein-Protein Complex
1FC2 Fc domain of IgG (IGHG1,IGHG2,IGHG3,IGHG4) D Immunoglobulin G-binding protein A C 1778 10x2
1FC2 Fc domain of IgG (IGHG1,IGHG2,IGHG3,IGHG4) D Immunoglobulin G-binding protein A C 1779 10x4
1G1S P-selectin A P-selectin glycoprotein ligand 1 (PSGL-1) D 1190 15x5
1G1S P-selectin A P-selectin glycoprotein ligand 1 (PSGL-1) D 1191 15x2
1HX1 Heat shock cognate 71 kDa protein A BAG family molecular chaperone regulator 1 (BAG-1) B 47 15x8
1HX1 BAG family molecular chaperone regulator 1 (BAG-1) B Heat shock cognate 71 kDa protein A 1153 12x5
1HX1 BAG family molecular chaperone regulator 1 (BAG-1) B Heat shock cognate 71 kDa protein A 1154 12x8
1K4U Neutrophil cytosol factor 2 (NCF-2) S Neutrophil cytosol factor 1 (NCF-1) P 139 9x37
1OC0 Plasminogen activator inhibitor 1 (PAI-1) A Vitronectin B 41 7x1, 10x1, 11x8
1SQ0 Platelet glycoprotein Ib alpha chain B von Willebrand factor (vWF) A 464 9x2
1SQ0 Platelet glycoprotein Ib alpha chain B von Willebrand factor (vWF) A 465 9x3
1WLP Cytochrome b-245 A Neutrophil cytosol factor 1 (NCF-1) B 60 9x33
1WLP Neutrophil cytosol factor 1 (NCF-1) B Cytochrome b-245 light chain A 62 9x5, 6x4
1YCR E3 ubiquitin-protein ligase Mdm2 A Cellular tumor antigen p53 B 1652 16x20
1YCR E3 ubiquitin-protein ligase Mdm2 A Cellular tumor antigen p53 B 1653 12x5
1YCR p53-binding domains of MDM2 A Cellular tumor antigen p53 B 1817 12x5
1YCR p53-binding domains of MDM2 A Cellular tumor antigen p53 B 2696 12x7
2C9F Penton protein ABC Fiber protein T 1386 6x35
2C9F Penton protein ABC Fiber protein T 1387 6x3
2C9F Fiber protein STW Penton protein A 1388 6x21
2C9F Head domain of fiber protein STW Penton protein A 1389 6x22
2C9F Shaft domain of fiber protein STW Penton protein A 1390 6x19
2C9F Fiber protein STW Penton protein A 1391 6x2
3DAB p53-binding domains of MDMX EG Cellular tumor antigen p53 F 1818 12x5
3DAB p53-binding domains of MDMX EG Cellular tumor antigen p53 F 2697 12x4
3DOW Gamma-aminobutyric acid receptor-associated protein A Calreticulin B 384 12x5
3EZB Phosphoenolpyruvate-protein phosphotransferase A Phosphocarrier protein HPr B 1036 6x11
3EZB Phosphoenolpyruvate-protein phosphotransferase A Phosphocarrier protein HPr B 1037 10x9
3EZB Phosphoenolpyruvate-protein phosphotransferase A Phosphocarrier protein HPr B 1038 15x6
3EZB Phosphocarrier protein HPr B Phosphoenolpyruvate-protein phosphotransferase A 1940 12x4
3RM2 Prothrombin HL Hirudin variant-2 I 1816 7x1