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Entry information

Complex
AACDB_ID: 162
PDBID: 1SY6
Chains: HL_A
Organism: Mus musculus, Homo sapiens
Method: XRD
Resolution (Å): 2.10
Reference: 10.1073/pnas.0402295101
Antibody
Antibody: OKT3 Fab
Antibody mutation: No
INN (Clinical Trial): Muromonab(Approved (withdrawn))
Antigen
Antigen: T cell surface glycoprotein CD3 gamma/epsilon chain
Antigen mutation: No
Durg Target: P07766; P09693;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>1SY6_H|Chain B[auth H]|OKT3 Fab heavy chain|Mus musculus (10090)
QVQLQQSGAELARPGASVKMSCKASGYTFTRYTMHWVKQRPGQGLEWIGYINPSRGYTNYNQKFKDKATLTTDKSSSTAYMQLSSLTSEDSAVYYCARYYDDHYCLDYWGQGTTLTVSSAKTTAPSVYPLAPVCGGTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR

Light Chain: L
Mutation: NULL

>1SY6_L|Chain A[auth L]|OKT3 Fab light chain|Mus musculus (10090)
QIVLTQSPAIMSASPGEKVTMTCSASSSVSYMNWYQQKSGTSPKRWIYDTSKLASGVPAHFRGSGSGTSYSLTISGMEAEDAATYYCQQWSSNPFTFGSGTKLEINRADTAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>1SY6_A|Chain C[auth A]|T-cell surface glycoprotein CD3 gamma/epsilon chain|Homo sapiens (9606)
MQSIKGNHLVKVYDYQEDGSVLLTCDAEAKNITWFKDGKMIGFLTEDKKKWNLGSNAKDPRGMYQCKGSQNKSKPLQVYYRMGSADDAKKDAAKKDDAKKDDAKKDGSDGNEEMGGITQTPYKVSISGTTVILTCPQYPGSEILWQHNDKNIGGDEDDKNIGSDEDHLSLKEFSELEQSGYYVCYPRGSKPEDANFYLYLRARV

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: SER30 TYR31 ASP49 TRP90 SER91 ASN93

H: ARG31 THR33 TYR50 ASN52 SER54 ARG55 TYR57 ASN59 LYS74 TYR99 ASP101 ASP102 TYR104

A: GLY139 SER140 GLU141 LEU143 ASN150 GLY152 GLY153 ASP154 GLU155 SER162 GLU164 ARG186 GLY187 SER188 LYS189 PRO190 ASP192

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)

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