Structure of PDB 5a67 Chain A Binding Site BS02

Receptor Information
>5a67 Chain A (length=206) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMEVEVKLRLLTAAAHLRLTTLLTPYHLKTLHQRNTFFDTPKNDLSLRR
AVLRLRFLQNAPSPPRCIVSLKAKPTLANGISRVEEDEEEIEYWIGKECV
ESPAKLSDIGSRVLKRVKEEYGFNDFLGFVCLGGFENVRNVYEWRGVKLE
VDETKYDFGNCYEIECETEEPERVKTMIEEFLTEEKIEFSNSDMTKFAVF
RSGKLP
Ligand information
Ligand ID3PO
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)OP(=O)(O)O)(O)O
FormulaH5 O10 P3
NameTRIPHOSPHATE
ChEMBLCHEMBL1230191
DrugBankDB03896
ZINCZINC000006827739
PDB chain5a67 Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a67 Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E4 K6 R52 R54 K76 R143 E169 T199 K200
Binding residue
(residue number reindexed from 1)		E6 K8 R54 R56 K72 R139 E165 T195 K196
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.1.-
3.6.1.25: triphosphatase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0050355 inorganic triphosphate phosphatase activity
Biological Process
GO:0048364 root development
Cellular Component
GO:0005634 nucleus
GO:0005680 anaphase-promoting complex
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:5a67, PDBe:5a67, PDBj:5a67
PDBsum5a67
PubMed26221030
UniProtQ9SIY3|TTM3_ARATH Triphosphate tunnel metalloenzyme 3 (Gene Name=TTM3)

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