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Entry information

Complex
AACDB_ID: 770
PDBID: 4JAN
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 3.15
Reference: 10.1038/nature12053
Antibody
Antibody: CH103 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade C gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4JAN_H|Chain B[auth A], E[auth H]|ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103|Homo sapiens (9606)
QVQLQESGPGVVKSSETLSLTCTVSGGSMGGTYWSWLRLSPGKGLEWIGYIFHTGETNYSPSLKGRVSISVDTSEDQFSLRLRSVTAADTAVYFCASLPRGQLVNAYFRNWGRGSLVSVTAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: L
Mutation: NULL

>4JAN_L|Chain C[auth B], F[auth L]|ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103|Homo sapiens (9606)
YELTQPPSVSVSPGQTATITCSGASTNVCWYQVKPGQSPEVVIFENYKRPSGIPDRFSGSKSGSTATLTIRGTQAIDEADYYCQVWDSFSTFVFGSGTQVTVLRQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: G
Mutation: NULL

>4JAN_G|Chain A[auth G], D[auth I]|ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C|HUMAN IMMUNODEFICIENCY VIRUS 1 (11676)
VWKEAKTTLFCASDAKAYEREVHNVWATHACVPTDPNPQEMALGNVTENFNMWKNDMVDQMHEDIISLWDQSLKPCVKLTGGSTVTQACPKVSFDPIPIHYCAPAGYAILKCNNETFEGTGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAKEEIVIRSENLTDNAKTIIVHLKESVEIVCTRPGNGGSGSGGDTRQAHCNISEEKWNKTLQKVSKILQEHFPNKAIKFEPHSGGDLEITTHSFNCRGEFFYCNTTKLFNGTYNSTANSTGSVSNTTITLPCRIKQIVNMWQGVGRAMYAPPIKGNITCKSIITGLLLTRDGGNDDNDTETFRPGGGDMRDNWRSELYKYKVVEIK

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)

H: TYR33 TYR50 PHE52 THR54 GLU56 ASN58 ARG97 GLY98 GLN99

L: THR31 ASN32 GLU50 ASN51 TYR52 LYS53 SER65 LYS66 SER67 GLY68 TRP91

G: SER256 ASP279 ASN280 HIS364 SER365 GLY366 GLY367 ASP368 LEU369 GLU370 ILE371 THR455 ARG456 ASP457 GLY458 GLY459 ASN460 ASP461 ASP462 ASN463 ARG469 GLY471 GLY472

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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