Complex | |
AACDB_ID: | 6883 |
PDBID: | 4IRZ |
Chains: | HL_A |
Organism: | Oryctolagus cuniculus, Homo sapiens |
Method: | XRD |
Resolution (Å): | 2.84 |
Reference: | 10.1074/jbc.M113.501668 |
Antibody | |
Antibody: | Natalizumab Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Integrin alpha 4 (α4-integrin) |
Antigen mutation: | No |
Durg Target: | P13612 |
Antibody
Heavy Chain: H
Mutation: NULL
>4IRZ_H|Chain C[auth H]|Fab Natalizumab heavy chain|Homo sapiens (9606) QVQLVQSGAEVKKPGASVKVSCKASGFNIKDTYIHWVRQAPGQRLEWMGRIDPANGYTKYDPKFQGRVTITADTSASTAYMELSSLRSEDEAVYYCAREGYYGNYGVYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVE |
Light Chain: L
Mutation: NULL
>4IRZ_L|Chain B[auth L]|Fab Natalizumab light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR |
Antigen
Chain: A
Mutation: NULL
>4IRZ_A|Chain A|Integrin alpha4 subunit|Oryctolagus cuniculus (9986) YNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKASTEEFPPLQPILQQKKEKDIMKKTINFARTGGLENLYFQ |
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)
L: ASN30 LYS31 TYR32 TYR50 PRO56 TYR91 ASP92 ASN93 TRP95 H: GLN1 VAL2 ASN28 LYS30 ASP31 THR32 TYR33 ARG50 ASP52 ALA54 ASN55 GLU99 TYR101 TYR102 GLY103 ASN104 TYR105 GLY106 VAL107 TYR108 TYR112 A: LYS83 LYS145 ALA148 PRO149 CYS150 TYR151 GLN152 ASP153 TYR154 VAL155 GLU160 ASN161 PHE162 ALA163 PHE193 THR198 THR199 ASN200 LYS201 TYR202 LYS203 ALA204 LEU206 LYS208 GLU255 LYS256 GLU257 |
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)