Complex | |
AACDB_ID: | 6987 |
PDBID: | 4NHH |
Chains: | BK_M |
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; |
Antibody
Heavy Chain: B
Mutation: NULL
>4NHH_B|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: K
Mutation: NULL
>4NHH_K|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: M
Mutation: NULL
>4NHH_M|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)
K: TYR36 GLN38 PRO40 GLY41 LYS42 ALA43 PRO44 LEU46 TYR49 LYS55 THR56 THR85 HIS87 GLN89 TYR91 ALA92 GLY93 TYR94 SER95 ALA96 PHE98 GLY99 GLN100 B: ASP280 GLY281 VAL282 GLN283 VAL284 HIS285 ASN286 ALA287 ASP315 GLY316 LYS317 LYS340 GLN342 M: ALA14 THR33 ASN35 VAL37 ARG39 GLY42 GLY43 GLY44 LEU45 TRP47 SER50 SER52 THR55 TYR56 ASP58 ASP61 ARG83 VAL84 GLU85 ILE89 TYR91 LYS95 SER97 ASP98 ASP101 TRP103 GLY104 PRO105 PRO113 ALA114 SER115 THR116 LYS117 GLY118 PRO214 SER215 ASN216 THR217 |
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)