Structure of PDB 2qee Chain D Binding Site BS01

Receptor Information
>2qee Chain D (length=415) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSINSREVLAEKVKNAVNNQPVTDMHTHLFSPNFGEILLWDIDELLTYHY
LVAEVMRWTDVSIEAFWAMSKREQADLIWEELFIKRSPVSEACRGVLTCL
QGLGLDPATRDLQVYREYFAKKTSEEQVDTVLQLANVSDVVMTNDPFDDN
ERISWLEGKQPDSRFHAALRLDPLLNEYEQTKHRLRDWGYKVNDEWNEGS
IQEVKRFLTDWIERMDPVYMAVSLPPTFSFPEESNRGRIIRDCLLPVAEK
HNIPFAMMIGVKKRVHPALGDAGDFVGKASMDGVEHLLREYPNNKFLVTM
LSRENQHELVVLARKFSNLMIFGCWWFMNNPEIINEMTRMRMEMLGTSFI
PQHSDARVLEQLIYKWHHSKSIIAEVLIDKYDDILQAGWEVTEEEIKRDV
ADLFSRNFWRFVGRN
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 chain2qee Chain D Residue 5024 [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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PDB2qee Crystal structure of putative amidohydrolase BH0493 from Bacillus halodurans C-125.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H26 H28 D355
Binding residue
(residue number reindexed from 1)		H26 H28 D355
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2qee, PDBe:2qee, PDBj:2qee
PDBsum2qee
PubMed
UniProtQ9KFI6

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