Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6836 |
| PDBID: | 4HCR |
| Chains: | HL_A |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.30 |
| Reference: | Not available or To be published |
| Antibody | |
| Antibody: | PF-547659 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Ontamalimab(Phase-III) |
| Antigen | |
| Antigen: | Mucosal addressin cell adhesion molecule 1 (MAdCAM-1) |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >4HCR_H|Chain A[auth H], D[auth M]|PF-547659 heavy chain|Homo sapiens (9606) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYGINWVRQAPGQGLEWMGWISVYSGNTNYAQKVQGRVTMTADTSTSTAYMDLRSLRSDDTAVYYCAREGSSSSGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVE |
Light Chain: L
Mutation: NULL
| >4HCR_L|Chain B[auth L], E[auth N]|PF-547659 light chain|Homo sapiens (9606) DIVMTQTPLSLSVTPGQPASISCKSSQSLLHTDGTTYLYWYLQKPGQPPQLLIYEVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGIYYCMQNIQLPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: D94N
| >4HCR_A|Chain C[auth A], F[auth B]|Mucosal addressin cell adhesion molecule 1|Homo sapiens (9606) VKPLQVEPPEPVVAVALGASRQLTCRLACADRGASVQWRGLDTSLGAVQSDTGRSVLTVRNASLSAAGTRVCVGSCGGRTFQHTVQLLVYAFPNQLTVSPAALVPGDPEVACTAHKVTPVDPNALSFSLLVGGQELEGAQALGPEVQEEEEEPQGDEDVLFRVTERWRLPPLGTPVPPALYCQATMRLPGLELSHRQAIPVLHHHHHHH |
Interaction
1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.
Interacting residues (ΔSASA based)
| H: THR28 THR30 SER31 TYR32 GLY33 TRP50 SER52 TYR54 SER55 ASN57 THR74 GLU99 GLY100 SER101 SER102 SER103 SER104 GLY105 ASP106 TYR107 TYR108 L: HIS31 ASP33 THR35 TYR37 GLU55 ASN96 ILE97 LEU99 TRP101 A: VAL1 LYS2 PRO3 LEU4 PRO11 GLY33 SER35 VAL36 GLN37 ARG39 LEU41 VAL71 VAL73 GLY74 SER75 CYS76 GLY77 GLY78 ARG79 THR80 PHE81 GLN82 HIS83 THR84 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.
Interacting residues (Atom distance based)
