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Entry information

Complex
AACDB_ID: 6986
PDBID: 4NHH
Chains: CQ_O
Organism: Homo sapiens
Method: XRD
Resolution (Å): 6.50
Reference: 10.1016/j.celrep.2013.11.015
Antibody
Antibody: 2G12 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Hepatitis B virus receptor binding protein
Antigen mutation: No
Durg Target: P01857; Q6PYX1;

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>4NHH_C|Chain E[auth A], F[auth B], K[auth C], L[auth D], Q[auth J], R[auth N]|2G12 IgG dimer heavy chain|Homo sapiens (9606)
PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPQVKFNWYVDGVQVHNAKTKPREQQYNSTYRVVSVLTVLHQNWLDGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKG

Light Chain: Q
Mutation: NULL

>4NHH_Q|Chain A[auth F], C[auth G], G[auth K], I[auth L], M[auth P], O[auth Q]|2G12 IgG dimer light chain|Homo sapiens (9606)
VVMTQSPSTLSASVGDTITITCRASQSIETWLAWYQQKPGKAPKLLIYKASTLKTGVPSRFSGSGSGTEFTLTISGLQFDDFATYHCQHYAGYSATFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: O
Mutation: NULL

>4NHH_O|Chain B[auth E], D[auth H], H[auth I], J[auth M], N[auth O], P[auth R]|Hepatitis B virus receptor binding protein|Homo sapiens (9606)
EVQLVESGGGLVKAGGSLILSCGVSNFRISAHTMNWVRRVPGGGLEWVASISSSTYRDYADAVKGRFTVSRDDLEDFVYLQMHKRVEDTAIYYCARKGSDRLDAWGPGTVVTVSPASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTSTCPPCPAPELLGG

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)

C: ARG292 GLU293 GLN294 GLN295 TYR296 ARG301

Q: TYR36 GLN38 PRO40 GLY41 LYS42 ALA43 PRO44 LEU46 TYR49 THR53 LYS55 THR56 THR85 HIS87 GLN89 TYR91 ALA92 GLY93 TYR94 SER95 ALA96 THR97 PHE98 GLY99 GLN100

O: GLU1 VAL2 GLN3 ASN26 THR33 ASN35 VAL37 ARG39 GLY43 GLY44 LEU45 GLU46 TRP47 SER50 SER52 TYR56 ASP58 ILE89 TYR91 LYS95 GLY96 SER97 ASP98 ARG99 ASP101 TRP103 GLY104 PRO105

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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