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Entry information

Complex
AACDB_ID: 2468
PDBID: 6MFT
Chains: AB_C
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.31
Reference: 10.7554/eLife.37688
Antibody
Antibody: glVRC01 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120 core G459C gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>6MFT_A|Chain A, C[auth H]|Heavy Chain glVRC01|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYCQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGKNSDYNWDFQHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHHHHHH

Light Chain: B
Mutation: NULL

>6MFT_B|Chain B, D[auth L]|Light chain glVRC01|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQYEFFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>6MFT_C|Chain E[auth C], F[auth G]|Gp120|Homo sapiens (9606)
VWKEAKTTLFCASDAKAYEKECHNVWATHACVPTDPNPQEVVLENVTENFNMWKNDMVDQMQEDVISIWDQCLKPCVKLTNTSTLTQACPKVTFDPIPIHYCAPAGYAILKCNNKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIVIRSKNLSDNAKIIIVQLNKSVEIVCTRPNNGGSGSGGDIRQAYCNISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFNDTISNATIMLPCRIKQIINMWQEVGKAIYAPPIKGNITCKSDITGLLLLRDGCNTTNNTEIFRPGGGDMRDNWRSELYKYKVVEIKPL

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)

A: THR30 TYR33 TRP47 TRP50 ASN53 SER54 GLY55 GLY56 THR57 ASN58 TYR59 CYS60 GLN61 LYS62 GLN64 ARG71 THR73 SER74 SER98 ASP99

B: GLU1 ILE2 VAL3 VAL29 SER30 TYR32 TYR91 GLU96 PHE97

C: LYS97 ASN197 LYS236 LYS275 ASN276 SER278 ASP279 ASN280 ALA281 LYS282 LYS356 SER364 GLY365 GLY366 ASP367 ILE370 VAL430 LEU455 ARG456 ASP457 GLY458 CYS459 ASN460 THR461 THR462 ASN463 THR465 GLU466 ILE467 ARG469 GLY472 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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