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Entry information

Complex
AACDB_ID: 297
PDBID: 2NXY
Chains: DC_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.00
Reference: 10.1038/nature05580
Antibody
Antibody: 17b Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120
Antigen mutation: No
Durg Target: P12488

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>2NXY_D|Chain D|ANTIBODY 17B, HEAVY CHAIN|Homo sapiens (9606)
EVQLVESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: C
Mutation: NULL

>2NXY_C|Chain C|ANTIBODY 17B, LIGHT CHAIN|Homo sapiens (9606)
DIVMTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: A
Mutation: NULL

>2NXY_A|Chain A|ENVELOPE GLYCOPROTEIN GP120|Human immunodeficiency virus 1 (11676)
EVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTPLCVGAGSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTGAGHCNIARAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIE

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: TRP2094 PRO2095

D: ILE3052 ILE3054 LEU3055 VAL3057 HIS3059 GLU3103 ALA3104 GLU3106 GLY3107 GLU3108 TYR3109 ASP3110 ASN3111

A: CYS119 VAL120 LEU122 VAL200 THR202 GLN203 ALA204 CYS205 ARG419 ILE420 LYS421 GLN422 ILE423 LYS432 MET434 PRO437

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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