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Entry information

Complex
AACDB_ID: 2614
PDBID: 6OOR
Chains: HL_A
Organism: Mus musculus, Rattus norvegicus
Method: XRD
Resolution (Å): 2.45
Reference: 10.1074/jbc.RA119.009403
Antibody
Antibody: 1B1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Antigen-presenting glycoprotein CD1d1
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6OOR_H|Chain D[auth H]|Antibody 1B1 Heavy chain|Rattus norvegicus (10116)
EAQLVESGGVLVQPGRSLKLSCAASGFPFNNYDMAWVRQAPTKGLEWVASIRTGDIGTYYRDSVKGRFTVSRDNAKSTLYLQMDSLRSEDTATYYCVRPRSVYYGLLLRPYWFFDFWGPGTMVTVSSAQTTAPSVYPLAPGCGDTTSSTVTLGCLVKGYFPEPVTVTWNSGALSSDVHTFPAVLQSGLYTLTSSVTSSTWPSQTVTCNVAHPASSTKVDKAVEARNGSHHHHHH

Light Chain: L
Mutation: NULL

>6OOR_L|Chain C[auth L]|Antibody 1B1 Light chain|Rattus norvegicus (10116)
QIMLTQQAESLWISPGERVSITCRASQSLLYTDGKHYLSWYQQRPGQTTKALIYHASVRTDGVPTRFIGSGSGSEFTLSIEHVQPEDFAIYYCLQTLKSPYTFGAGTKLELKRADAAPTVSIFPPSTEQLATGGASVVCLMNNFYPRDISVKWKIDGTERRDGVLDSVTDQDSKDSTYSMSSTLSLTKADYESHNLYTCEVVHKTSSSPVVKSFNRNEC

Antigen

Chain: A
Mutation: C12S

>6OOR_A|Chain A|Antigen-presenting glycoprotein CD1d1|Mus musculus (10090)
SEAQQKNYTFRSLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRDIQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATVQMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPNADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH

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: TYR31 THR32

H: ASN31 THR53 GLY54 ASP55 ILE56 TYR103 TYR104 GLY105 LEU106 LEU107 LEU108 ARG109

A: SER76 PHE77 ARG79 ASP80 ILE81 GLU83 LEU84 MET87 LEU143 LEU145 PRO146 ILE147 LYS148 VAL149 LEU150 ALA152 ASP153 GLN154

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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