Structure of PDB 7aud Chain D Binding Site BS02

Receptor Information
>7aud Chain D (length=510) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HERFQSLSFPHTKEMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMP
TGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGD
KTDSEATNIYLQLSKKDPIIKLLYVTPEKICASNRLISTLENLYERKLLA
RFVIDEAHCVSQWGHDFRQDYKRMNMLRQKFPSVPVMALTATANPRVQKD
ILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRKHHPYDS
GIIYCLSRRECDTMADTLQRDGLAALAYHAGLSDSARDEVQQKWINQDGC
QVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCL
LFYTYHDVTRLKRLIMMEKDGNHHTRETHFNNLYSMVHYCENITECRRIQ
LLAYFGENGFNPDFCKKHPDVSCDNCCSQREEMVKKCLGELTEVCKSLGK
VFGVHYFNIFNTVTLKKLAESLSSDPEVLLQIDGVTEDKLEKYGAEVISV
LQKYSEWTSP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7aud Chain D Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7aud Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		C1036 C1055 C1063
Binding residue
(residue number reindexed from 1)		C396 C415 C423
Annotation score1
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination
GO:0044237 cellular metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7aud, PDBe:7aud, PDBj:7aud
PDBsum7aud
PubMed33647232
UniProtP54132|BLM_HUMAN RecQ-like DNA helicase BLM (Gene Name=BLM)

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