Structure of PDB 4knv Chain A Binding Site BS01
Receptor Information
>4knv Chain A (length=241) Species:
9606
(Homo sapiens) [
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MRAVFFDLDNTLIDTAGASRRGMLEVIKLLQSKYHYKEEAEIICDKVQVK
LSKECFHPYNTCITDLRTSHWEEAIQETKGGAANRKLAEECYFLWKSTRL
QHMTLAEDVKAMLTELRKEVRLLLLTNGDRQTQREKIEACACQSYFDAVV
VGGEQREEKPAPSIFYYCCNLLGVQPGDCVMVGDTLETDIQGGLNAGLKA
TVWINKNGIVPLKSSPVPHYMVSSVLELPALLQSIDCLVPR
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
4knv Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4knv
Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Resolution
1.993 Å
Binding residue
(original residue number in PDB)
D12 L13 D14 T131 N132 K164
Binding residue
(residue number reindexed from 1)
D7 L8 D9 T126 N127 K159
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.1.3.29
: N-acylneuraminate-9-phosphatase.
Gene Ontology
Molecular Function
GO:0016787
hydrolase activity
GO:0016791
phosphatase activity
GO:0050124
N-acylneuraminate-9-phosphatase activity
Biological Process
GO:0006045
N-acetylglucosamine biosynthetic process
GO:0006055
CMP-N-acetylneuraminate biosynthetic process
GO:0044283
small molecule biosynthetic process
GO:0046380
N-acetylneuraminate biosynthetic process
GO:0070085
glycosylation
Cellular Component
GO:0005575
cellular_component
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4knv
,
PDBe:4knv
,
PDBj:4knv
PDBsum
4knv
PubMed
23747226
UniProt
Q8TBE9
|NANP_HUMAN N-acylneuraminate-9-phosphatase (Gene Name=NANP)
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