Structure of PDB 7w5t Chain A Binding Site BS01

Receptor Information
>7w5t Chain A (length=289) Species: 1676613 (Actinomadura sp. ATCC 39365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVPLMELSGRAPVVRLHDIEADMAAATDAIRSQLTGWGFMAAEVPGIGER
VEAMMNEFAAACRATGPSLSDYAYDVVPQLAVGGTHGFFPYDPKEFIHVS
GAMIGDQPPGAGDVLRAFPAFGTRAAEVFDIAFRLISLFGEVVRGMMPPG
TPELDLSHDATNLRVIHYRDVGDREVLAHEHSGIQMLGLQLPPSDQGLQY
VLHDGTWVEPVIAGTDVVLCNIGRMLTSASDGRFRPSTHRVHTKPMPAGY
ERLSSVLFAYPQHKARQWKMVDGELMSLNATWGDFIDSR
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain7w5t Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7w5t Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		H194 G196 H252
Binding residue
(residue number reindexed from 1)		H181 G183 H239
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7w5t, PDBe:7w5t, PDBj:7w5t
PDBsum7w5t
PubMed35435717
UniProtA0A1U8X168

[Back to BioLiP]