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Entry information

Complex
AACDB_ID: 5976
PDBID: 8DF1
Chains: OP_C
Organism: Homo sapiens, Oryctolagus cuniculus
Method: XRD
Resolution (Å): 3.30
Reference: 10.1093/abt/tbac027
Antibody
Antibody: C59 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human chitinase 3-like-1 (hChi3l1)
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: O
Mutation: NULL

>8DF1_O|Chain G[auth H], I[auth M], K[auth O], M[auth Q], O[auth S], Q[auth U]|C59 Fab Heavy chain|Oryctolagus cuniculus (9986)
QSVEESGGDLVKPGASLTLTCTASGFTISSDYYMCWVRQAPGKGLEWIGCIYIGSGTDTYYASWAKGRFTISKTSSTTVTLQMTSLTAADTATYFCARDKGWSNAWGFYFQLWGPGTLVTVSSGQPKAPSVFPLAPCCGDTPSSTVTLGCLVKGYLPEPVTVTWNSGTLTNGVRTFPSVRQSSGLYSLSSVVSVTSSSQPVTCNVAHPATNTKVDKTVAPSTC

Light Chain: P
Mutation: NULL

>8DF1_P|Chain H[auth L], J[auth N], L[auth P], N[auth R], P[auth T], R[auth V]|C59 Fab Light chain|Oryctolagus cuniculus (9986)
DPVLTQTPASVEVPVGGTVTINCQASQSIGKYLNWYQQKPGQPPKLLIYSSSSLASGVSSRFKGSGFGTQFTLTISGVQCADAATYYCQQGYSYVDLENGFGGGTELEILGDPVAPTVLIFPPAADQVATGTVTIVCVANKYFPDVTVTWEVDGTTQTTGIENSKTPQNSADCTYNLSSTLTLTSTQYNSHKEYTCKVTQGTTSVVQSFNRGDC

Antigen

Chain: C
Mutation: NULL

>8DF1_C|Chain A, B, C, D, E, F|Chitinase-3-like protein 1|Homo sapiens (9606)
YKLVCYYTSWSQYREGDGSCFPDALDRFLCTHIIYSFANISNDHIDTWEWNDVTLYGMLNTLKNRNPNLKTLLSVGGWNFGSQRFSKIASNTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRRDKQHFTTLIKEMKAEFIKEAQPGKKQLLLSAALSAGKVTIDSSYDIAKISQHLDFISIMTYDFHGAWRGTTGHHSPLFRGQEDASPDRFSNTDYAVGYMLRLGAPASKLVMGIPTFGRSFTLASSETGVGAPISGPGIPGRFTKEAGTLAYYEICDFLRGATVHRILGQQVPYATKGNQWVGYDDQESVKSKVQYLKDRQLAGAMVWALDLDDFQGSFCGQDLRFPLTNAIKDALAAT

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)

O: ASP32 TYR34 ASP56 TYR58 TRP98

P: ASP1 GLN27 SER28 ILE29 GLY30 LYS31 TYR32 PHE67 THR69 TYR92 SER93 TYR94

C: HIS70 ARG122 LYS126 SER127 PRO129 PRO130 PHE131 ARG133 THR134 HIS135 GLY136 PHE137 ASP138 LYS168 GLU169 ALA170 GLN171 PRO172 GLY173 LYS174

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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