Structure of PDB 7gqt Chain A Binding Site BS01

Receptor Information

>7gqt Chain A (length=421) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYG
KSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSEN
VLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISER
DSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFD
RPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVT
GELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKA
DIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLT
EIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMG
TEKCCDNCRSRLDHGGRLEVL

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

7gqt Chain A Residue 1001 [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	7gqt Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase
Resolution	2.21 Å
Binding residue (original residue number in PDB)	C908 C935 C936 C939
Binding residue (residue number reindexed from 1)	C377 C404 C405 C408
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.-.-
5.6.2.4: DNA 3'-5' helicase.

Gene Ontology

	Molecular Function
GO:0003676	nucleic acid binding
GO:0004386	helicase activity
GO:0005524	ATP binding

	Biological Process
GO:0006310	DNA recombination

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Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:7gqt, PDBe:7gqt, PDBj:7gqt
PDBsum	7gqt
PubMed	38658751
UniProt	Q14191\|WRN_HUMAN Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN (Gene Name=WRN)

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