Structure of PDB 2zau Chain C Binding Site BS01

Receptor Information
>2zau Chain C (length=304) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFNIYTDESTLVSIGAGVYEHNGIIWVYTVDIITPVVNDPYLWGAISTAN
ALSDVYAMGGIPVNALAISCFNNCIEIFREVIRGALDKLREAKTVLLGGH
TIDDKEPKFGLSVAGICPEGKYITQSGAQVGQLLILTKPIGTGILIKGLK
EGILKEEDINEAIENMLALNDKARNLMLSLDATACTDVTGFGLLGHAWNI
CKNSNIGARIFFEKVPYYQLSENLVKKKIYPKGAIENLNFVKNYLKSNLD
NWKLILLSDPVTSGGLLFTINKEKLEKIDETAKELEVNYWIIGETIAENV
LEVL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
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-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2zau Chain C Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zau Structure of an N-terminally truncated selenophosphate synthetase from Aquifex aeolicus
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K179 K182 P263 K264
Binding residue
(residue number reindexed from 1)		K147 K150 P231 K232
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.9.3: selenide, water dikinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004756 selenide, water dikinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0016260 selenocysteine biosynthetic process
GO:0016310 phosphorylation
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:2zau, PDBe:2zau, PDBj:2zau
PDBsum2zau
PubMed18540050
UniProtO67139|SELD_AQUAE Selenide, water dikinase (Gene Name=selD)

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