Structure of PDB 4cqd Chain A Binding Site BS01

Receptor Information
>4cqd Chain A (length=401) Species: 47660 (Pseudomonas sp. ADP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDFDLIIRNAYLSEKDSVYDIGIVGDRIIKIEAKIEGTVKDEIDAKGNLV
SPGFVDAHTHMDKSFTSTGERLPKFWSRPYTRDAAIEDGLKYYKNATHEE
IKRHVIEHAHMQVLHGTLYTRTHVDVDSVAKTKAVEAVLEAKEELKDLID
IQVVAFAQSGFFVDLESESLIRKSLDMGCDLVGGVDPATRENNVEGSLDL
CFKLAKEYDVDIDYHIHDIGTVGVYSINRLAQKTIENGYKGRVTTSAAWC
FADAPSEWLDEAIPLYKDSGMKFVTCFSSTPPTMPVIKLLEAGINLGCAS
DNIRDFWVPFGNGDMVQGALIETQRLELKTNRDLGLIWKMITSEGARVLG
IEKNYGIEVGKKADLVVLNSLSPQWAIIDQAKRLCVIKNGRIIVKDEVIV
A
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 chain4cqd Chain A Residue 1404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cqd X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H60 H62 H217 D303
Binding residue
(residue number reindexed from 1)		H58 H60 H215 D301
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H60 H62 Q160 H217 D220 D303
Catalytic site (residue number reindexed from 1) H58 H60 Q158 H215 D218 D301
Enzyme Commision number 3.5.4.42: N-isopropylammelide isopropylaminohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016814 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
GO:0018764 N-isopropylammelide isopropylaminohydrolase 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:4cqd, PDBe:4cqd, PDBj:4cqd
PDBsum4cqd
PubMed26390431
UniProtO52063|ATZC_PSESD N-isopropylammelide isopropyl amidohydrolase (Gene Name=atzC)

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