Structure of PDB 1ani Chain B Binding Site BS04
Receptor Information
>1ani Chain B (length=446) Species:
562
(Escherichia coli) [
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MPVLENRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGDGM
GDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDSA
ASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQH
ATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVT
LGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQK
PLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMT
DKAIELLSKNEKGFFLQVEGASIDHQDHAANPCGQIGETVDLDEAVQRAL
EFAKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYG
NSEEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
[O-][P]([O-])([O-])=O
ACDLabs 10.04
[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0
[O-]P(=O)([O-])[O-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
1ani Chain B Residue 453 [
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Receptor-Ligand Complex Structure
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PDB
1ani
Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
D101 R166 H412
Binding residue
(residue number reindexed from 1)
D98 R163 H409
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D51 S102 H153 T155 R166 E322 D327 H328 H331 D369 H370 H412
Catalytic site (residue number reindexed from 1)
D48 S99 H150 T152 R163 E319 D324 H325 H328 D366 H367 H409
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
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1ani
,
PDBe:1ani
,
PDBj:1ani
PDBsum
1ani
PubMed
7473737
UniProt
P00634
|PPB_ECOLI Alkaline phosphatase (Gene Name=phoA)
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