Structure of PDB 4nhc Chain H Binding Site BS02

Receptor Information

>4nhc Chain H (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGG
VIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREG
TTGWGWLGKPIGAFAHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTA
ALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPS
SSLGTQTYICNVNHKPSNTKVDKKVEPK

Ligand information

Ligand ID

TFA

InChI

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

DTQVDTLACAAQTR-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	FC(F)(F)C(=O)O
CACTVS 3.370	OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0	C(=O)(C(F)(F)F)O

Formula

C2 H F3 O2

Name

trifluoroacetic acid

PDB chain

4nhc Chain H Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4nhc Stapled HIV-1 peptides recapitulate antigenic structures and engage broadly neutralizing antibodies.
Resolution	2.912 Å
Binding residue (original residue number in PDB)	Q39 A40 P41 G42
Binding residue (residue number reindexed from 1)	Q39 A40 P41 G42
Annotation score	1

External links

PDB	RCSB:4nhc, PDBe:4nhc, PDBj:4nhc
PDBsum	4nhc
PubMed	25420104

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