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Entry information

Complex
AACDB_ID: 6988
PDBID: 4NHH
Chains: DF_I
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: D
Mutation: NULL

>4NHH_D|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: F
Mutation: NULL

>4NHH_F|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: I
Mutation: NULL

>4NHH_I|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)

F: TYR36 GLN38 LYS39 PRO40 GLY41 LYS42 ALA43 PRO44 LEU46 TYR49 LYS55 THR56 THR85 HIS87 GLN89 TYR91 ALA92 GLY93 TYR94 SER95 ALA96 PHE98 GLY99 GLN100

D: ASP280 GLY281 VAL282 GLN283 HIS285 ASN286 ALA287 ASP315 GLY316 LYS317 LYS340 GLN342 PRO343

I: ALA14 THR33 ASN35 VAL37 ARG39 GLY42 GLY43 GLY44 LEU45 TRP47 SER50 SER52 THR55 TYR56 ASP58 ASP61 ARG85 VAL86 GLU87 ILE91 TYR93 LYS97 SER99 ASP100 TRP105 GLY106 PRO107 PRO115 ALA116 SER117 THR118 GLY120 SER199 ASN200 THR201

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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