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Entry information

Complex
AACDB_ID: 3329
PDBID: 6ZTR
Chains: HL_I
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.10
Reference: 10.1158/1535-7163.MCT-20-0708
Antibody
Antibody: CQY684 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: P-Cadherin-3
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6ZTR_H|Chain A, C[auth H]|CQY684 Fab heavy-chain|Homo sapiens (9606)
QVQLQQSGPGLVKPSQTLSLTCAISGDSVSSQSAAWNWIRQSPSRGLEWLGRIYYRSKWYNDYALSVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARGEGYGREGFAIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSEFDYKDDDDKGAPHHHHHH

Light Chain: L
Mutation: NULL

>6ZTR_L|Chain B, F[auth L]|CQY684 Fab light-chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQTISNTLAWYQQKPGKAPKLLIYAASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYLSWFTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEA

Antigen

Chain: I
Mutation: NULL

>6ZTR_I|Chain D[auth I], E[auth J]|Cadherin-3|Homo sapiens (9606)
GPDWVVAPISVPENGKGPFPQRLNQLKSNKDRDTKIFYSITGPGADSPPEGVFAVEKETGWLLLNKPLDREEIAKYELFGHAVSENGASVEDPMNISIIVTDQNDHKPKFTQDTFRGSVLEGVLPGTSVMQVTATDEDDAIYTYNGVVAYSIHSQEPKDPHDLMFTIHRSTGTISVISSGLDREKVPEYTLTIQATDMDGDGSTTTAVAVVEILDANDN

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: ARG52 TYR54 ARG56 TYR60 ASP62 LEU65 LYS68 TYR105 ARG107

L: ASP1 ILE2 GLN27 THR28 SER30 ASN31 SER67 GLY68 LEU92 SER93 TRP94

I: PRO123 PHE124 PRO125 ASP151 SER152 PRO153 PRO154 GLU155 GLY156 VAL157 ALA159 VAL160 GLU161 LYS162 GLU163 THR164 LEU168 ASN170 LYS171 PRO172

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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