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Entry information

Complex
AACDB_ID: 306
PDBID: 2NY7
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.30
Reference: 10.1038/nature05580
Antibody
Antibody: b12 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>2NY7_H|Chain B[auth H]|ANTIBODY b12, HEAVY CHAIN|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCQASGYRFSNFVIHWVRQAPGQRFEWMGWINPYNGNKEFSAKFQDRVTFTADTSANTAYMELRSLRSADTAVYYCARVGPYSWDDSPQDNYYMDVWGKGTTVIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSC

Light Chain: L
Mutation: NULL

>2NY7_L|Chain C[auth L]|ANTIBODY b12, LIGHT CHAIN|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATFSCRSSHSIRSRRVAWYQHKPGQAPRLVIHGVSNRASGISDRFSGSGSGTDFTLTITRVEPEDFALYYCQVYGASSYTFGQGTKLERKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>2NY7_G|Chain A[auth G]|ENVELOPE GLYCOPROTEIN GP120|Human immunodeficiency virus 1 (11676)
EVVLVNVTENFNWCKNDMVEQMHEDICSLWDQSLKPCVKLTPLCVGAGSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSSQLLLNGSLAEEEVVIRSCNFTDNAKTIIVQLNTSVEINCTGAGHCNIARAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHWFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWCKVGKMMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIE

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: ARG28 SER30 ASN31 PHE32 VAL33 TRP50 PRO52 TYR53 ASN54 ASN56 LYS57 GLU58 THR73 SER74 ASN76 VAL95 PRO97 TYR98 SER99

G: SER257 ASN280 ALA281 LYS282 SER364 SER365 GLY366 GLY367 ASP368 PRO369 GLU370 ILE371 VAL372 THR373 TRP375 TYR384 ASN386 PRO417 CYS418 ARG419 VAL430 GLY431 LYS432 THR455 ARG456 ASP457 GLY472 GLY473 ASP474 MET475

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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