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Entry information

Complex
AACDB_ID: 1888
PDBID: 5W5Z
Chains: HL_A
Organism: Rattus norvegicus, Homo sapiens
Method: XRD
Resolution (Å): 2.00
Reference: 10.1016/j.str.2018.07.006
Antibody
Antibody: 3C10 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Apoptosis regulator BAX
Antigen mutation: Yes
Durg Target: Q07812

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5W5Z_H|Chain B[auth H]|3C10 Fab heavy chain|Rattus norvegicus (10116)
QVQLQQSGAELVKPGSSVKISCKASGYTFTNYDMHWIKQRPGSGLEWIGWIYPGNGNTKYNQKFNGKATLTADKSSTTAYMQLSSLTSEDSAVYFCVREGLGITFEYWGQGVKVTVSSAETTAPSVYPLAPGTALKSNSMVTLGCLVKGYFPEPVTVTWNSGALSSGVHTFPAVLQSGLYTLTSSVTVPSSTWSSQAVTCNVAHPASSTKVDKKIVPRECNPCGCTGSEVSSVF

Light Chain: L
Mutation: NULL

>5W5Z_L|Chain A[auth L]|3C10 Fab light chain|Rattus norvegicus (10116)
DIQMTQSPSFLSASVGDRVTINCKASQNVNKYLDWYQQNLGEPPKLLIYHTNSLPTGIPSRFSGSGSGTDFTLTISSLQVEDVATYFCLQHDSGLTFGSGTKLEIKRADAAPTVSIFPPSMEQLTSGGATVVCFVNNFYPRDISVKWKIDGSEQRDGVLDSVTDQDSKDSTYSMSSTLSLTKVEYERHNLYTCEVVHKTSSSPVVKSFNRNEC

Antigen

Chain: A
Mutation: C31S/C95S/P137G

>5W5Z_A|Chain C[auth A]|Apoptosis regulator BAX|Homo sapiens (9606)
QDRAGRMGGEAPELALDPVPQDASTKKLSESLKRIGDELDSNMELQRMIAAVDTDSPREVFFRVAADMFSDGNFNWGRVVALFYFASKLVLKALSTKVPELIRTIMGWTLDFLRERLLGWIQDQGGWDGLLSYFGTGTWQTVTIFVAGVLTASLTIWKKMGSS

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)

Chain residues position delta_SASA : residuesposition

L: ASP1 TYR32 HIS50 LEU89 HIS91 ASP92 SER93 GLY94 LEU95

H: ASN31 TYR32 ASP33 HIS35 TRP47 TRP50 TYR52 ASN55 ASN57 LYS59 GLU99 GLY100 LEU101 THR104 PHE105

A: ASP33 ARG34 ALA35 GLY36 ARG37 MET38 GLY39 GLY40 GLU41 ALA42 PRO43 GLU44 LEU45 ASP68

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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