Structure of PDB 1kh5 Chain A Binding Site BS01

Receptor Information
>1kh5 Chain A (length=444) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLENRAAQGNITAPGGARRLTGDQTAALRNSLSDKPAKNIILLIGDGMGD
SEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDSAAS
ATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDAT
PAALVAHVTSRKCYGPSATSQKCPGNALEKGGKGSITEQLLNARADVTLG
GGAKTFAETATAGEWQGKTLREEAEARGYQLVSDAASLNSVTEANQQKPL
LGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDK
AIELLSKNEKGFFLQVEGASIDKQNHAANPCGQIGETVDLDEAVQRALEF
AKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYGNS
EEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK
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 chain1kh5 Chain A Residue 450 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kh5 Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D327 H331 H412
Binding residue
(residue number reindexed from 1)		D322 H326 H407
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004035 alkaline phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0030613 oxidoreductase activity, acting on phosphorus or arsenic in donors
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kh5, PDBe:1kh5, PDBj:1kh5
PDBsum1kh5
PubMed11884134
UniProtP00634|PPB_ECOLI Alkaline phosphatase (Gene Name=phoA)

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