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Entry information

Complex
AACDB_ID: 3125
PDBID: 6WIT
Chains: HL_I
Organism: Macaca mulatta, Homo sapiens
Method: XRD
Resolution (Å): 2.79
Reference: 10.1371/journal.ppat.1009543
Antibody
Antibody: NHP-D15.SD7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade C 16055 strain V1V2 1FD6 scaffold
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6WIT_H|Chain A, D[auth H]|NHP GN1-SD7 Fab Heavy Chain|Macaca mulatta (9544)
EVQLVQSGAEVKKPGASMKISCKASGYTFTDYSLHWVRQTPGKGLEWMGRVDPEDGESHYAQKFQDRVTITADTSTDTAYMEVRSLRSEDTAMYYCATDHREDGPTYFSGVQWVPFRFWGQGVLVTVSSASTKGPSVFPLAPSXXXXXXGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: L
Mutation: NULL

>6WIT_L|Chain B, E[auth L]|NHP GN1-SD7 Fab Light Chain|Macaca mulatta (9544)
VVFTQPHSVSGSPGQTVTISCTRSSGSIDSEYVQWYQQRPGSAPTTLIYKDNQRPSGVPDRFSGSIDSSSNSASLAISGLKSEDEADYYCQSPDGRYNRVFGGGTRLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT

Antigen

Chain: I
Mutation: NULL

>6WIT_I|Chain C, F[auth I]|16055 V1V2 1FD6 Scaffold|Homo sapiens (9606)
MTTFKLAACVTLECRQVXXXXXXXXXXXXXXXXXXEIKNCSFNATTXXXDKKQKVYALFYRLDIVPLEEERKGNSSKYRLINCQTTTTEAVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLE

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 ASP31 GLU53 ARG97

L: ILE28 ASP29 SER30 GLU31 TYR32 GLN34 LYS50 ASP51 PRO91 GLY93 ARG94 ARG96

I: LYS122 GLU153 LYS155 TYR177 ARG178 LEU179 ILE181 VAL182 PRO183 LEU184 GLU185 GLY186 ASN187 ARG192 LYS233

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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