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Entry information

Complex
AACDB_ID: 1431
PDBID: 5IGX
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 3.39
Reference: 10.7554/eLife.13783
Antibody
Antibody: NIH45-46 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 426c.TM4deltaV1-3 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5IGX_H|Chain B[auth H]|germline NIH45-46 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGKYCTARDYYNWDFQHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPSCDKTHHHHHH

Light Chain: L
Mutation: NULL

>5IGX_L|Chain C[auth L]|germline NIH45-46 light chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQYEFFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>5IGX_G|Chain A[auth G]|426c.TM1deltaV1-3 gp120|Human immunodeficiency virus 1 (11676)
VWKEAKTTLFCASDAKAYEKECHNVWATHACVPTDPNPQEVVLENVTENFNMWKNDMVDQMQEDVISIWDQCLKPCVKLTNTSTLTQACPKVTFDPIPIHYCAPAGYAILKCNNKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIVIRSKDLSDNAKIIIVQLNKSVEIVCTRPNNGGSGSGGDIRQAYCNISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFNDTISNATIMLPCRIKQIINMWQEVGKAIYAPPIKGNITCKSDITGLLLLRDGGDTTDNTEIFRPGGGDMRDNWRSELYKYKVVEIKPLHHHHHH

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: THR30 TYR33 HIS35 TRP47 TRP50 ASN53 SER54 GLY55 GLY56 THR57 ASN58 TYR59 ALA60 GLN61 LYS62 GLN64 ARG71 THR73 SER74 TYR99 TYR100 ASN101 TRP102

L: GLU1 ILE2 VAL3 VAL29 TYR32 TYR91 GLU92 PHE93

G: TRP96 ASN124 LYS275 ASP276 SER278 ASP279 ASN280 ALA281 LYS282 SER364 GLY365 GLY366 ASP367 ILE370 MET426 GLU429 VAL430 LEU455 ARG456 ASP457 GLY458 GLY459 ASP460 THR461 THR465 GLU466 ILE467 ARG469 GLY473

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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