Structure of PDB 4v1x Chain B Binding Site BS01

Receptor Information
>4v1x Chain B (length=472) Species: 47660 (Pseudomonas sp. ADP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSIQHGTLVTMDQYRRVLGDSWVHVQDGRIVALGVHAESVPPPADRVID
ARGKVVLPGFINAHTHVNQILLRGGPSHGRQFYDWLFNVVYPGQKAMRPE
DVAVAVRLYCAEAVRSGITTINENADSAIYPGNIEAAMAVYGEVGVRVVY
ARMFFDRMDGRIQGYVDALKARSPQVELCSIMEETAVAKDRITALSDQYH
GTAGGRISVWPAPATTTAVTVEGMRWAQAFARDRAVMWTLHMAESDHDER
IHGMSPAEYMECYGLLDERLQVAHCVYFDRKDVRLLHRHNVKVASQVVSN
AYLGSGVAPVPEMVERGMAVGIGTDNGNSNDSVNMIGDMKFMAHIHRAVH
RDADVLTPEKILEMATIDGARSLGMDHEIGSIETGKRADLILLDLRHPQT
TPHHHLAATIVFQAYGNEVDTVLIDGNVVMENRRLSFLPPERELAFLEEA
QSRATAILQRANMVANPAWRSL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4v1x Chain B Residue 481 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v1x The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H66 H68 H243 H276 D327
Binding residue
(residue number reindexed from 1)		H64 H66 H241 H274 D325
Annotation score1
Enzymatic activity
Enzyme Commision number 3.8.1.8: atrazine chlorohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0018788 atrazine chlorohydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0019381 atrazine catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4v1x, PDBe:4v1x, PDBj:4v1x
PDBsum4v1x
PubMed25760618
UniProtP72156|ATZA_PSESD Atrazine chlorohydrolase (Gene Name=atzA)

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