Structure of PDB 3fd6 Chain A Binding Site BS02

Receptor Information
>3fd6 Chain A (length=342) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNPESYELDKSFRLTRFTELKGTGCKVPQDVLQKLLESLMPRLGIGMDTC
VIPLRHGGLSLVQTTDYIYPIVDDPYMMGRIACANVLSDLYAMGVTECDN
MLMLLGVSNKMTDRERDKVMPLIIQGFKDAAEEAGTSVTGGQTVLNPWIV
LGGVATTVCQPNEFIMPDNAVPGDVLVLTKPLGTQVAVAVHQWLVVTQED
VELAYQEAMMNMARLNRTAAGLMHTFNAHAATDITGFGILGHAQNLAKQQ
RNEVSFVIHNLPVLAKMAAVSKACGNMFGLMHGTCPETSGGLLICLPREQ
AARFCAEIKSPEGHQAWIIGIVEKGNRTARIIDKPRIIEVAP
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 chain3fd6 Chain A Residue 394 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fd6 Crystal structures of catalytic intermediates of human selenophosphate synthetase 1.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		K32 D87 T267 G268
Binding residue
(residue number reindexed from 1)		K26 D66 T235 G236
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.9.3: selenide, water dikinase.
Gene Ontology
Molecular Function
GO:0004756 selenide, water dikinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0016260 selenocysteine biosynthetic process
GO:0016310 phosphorylation
GO:0036211 protein modification process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0031965 nuclear membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fd6, PDBe:3fd6, PDBj:3fd6
PDBsum3fd6
PubMed19477186
UniProtP49903|SPS1_HUMAN Selenide, water dikinase 1 (Gene Name=SEPHS1)

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