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Entry information

Complex
AACDB_ID: 2870
PDBID: 6TYB
Chains: HL_G
Organism: Simian immunodeficiency virus, Macaca mulatta
Method: XRD
Resolution (Å): 2.30
Reference: 10.1016/j.immuni.2019.09.007
Antibody
Antibody: ITS90.03 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SIV gp160
Antigen mutation: No
Durg Target: P05884

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6TYB_H|Chain C[auth H]|NEUTRALIZING ANTIBODY ITS90.03 FAB HEAVY CHAIN|Macaca mulatta (9544)
EVQLVQSGTEVKRPGESLTISCKTSGYSFSGTWISWVRQMPGKGLEWMGSIYPGDSDTRYHPSFQGHVTISADRSVSTTYLQWSSLKASDTATYYCARSYEDNYGYYDLFFFFDYWGQGALVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKGLEVLFQ

Light Chain: L
Mutation: NULL

>6TYB_L|Chain D[auth L]|NEUTRALIZING ANTIBODY ITS90.03 FAB LIGHT CHAIN|Macaca mulatta (9544)
DIQMTQSPSSLSASVGDRVTITCRASQGISTYLAWYQQKPGKAPKLLIYKAYLLQNGVPSRFSGGGSGTDFTLTISSLQPEDFATYYCQQHNNNPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>6TYB_G|Chain A[auth G]|Envelope glycoprotein gp160|Simian immunodeficiency virus (11723)
AWRNATIPLFCATKNRDTWGTTQCLPDNGDYSEVALNVTESFDAWNNTVTEQAIEDVWQLFETSIKPCVKLSGSGSVIQESCDKHYWDAIRFRYCAPPGYALLRCNDTNYSGFMPKCSKVVVSSCTRMMETQTSTWFGFNGTRAENRTYIYWHGRDNRTIISLNKYYNLTMKCRRPGGSGGSGDRPKQAWCWFGGKWKDAIKEVKQTIVKHPRYTGTNNTDKINLTAPGGGDPEVTFMWTNCRGEFLYCKMNWFLNWVEDRNTANQKPKEQHKRNYVPCHIRQIINTWHKVGKNVYLPPREGDLTCNSTVTSLIANIDWIDGNQTNITMSAEVAELYRLELGDYKLVEITPGLEVLFQ

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: SER28 SER30 GLY31 TRP33 GLY53 ASP54 ASP56 ARG73 GLU97 ASP98 ASN99

L: SER30 THR31 TYR32 TYR49 LYS50 TYR52 LEU53

G: ASN88 VAL89 THR90 THR231 ASN232 SER234 PHE236 MET237 LYS238 SER240 LYS241 TYR271 TRP274 THR348 VAL350 LYS351 HIS352 PRO353 ARG354 TYR355

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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