Structure of PDB 1vbh Chain A Binding Site BS02

Receptor Information
>1vbh Chain A (length=862) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEAC
QQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAV
SMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIP
RSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSD
PKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGN
TSGTGVLFTRNPNTGEKKLYGEFLVNARTPEDLDAMKNLMPQAYDELVEN
CNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGL
VEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVV
FTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTEMTSHAAVVAR
GWGKCCVSGCSGIRVNDAEKLVTIGGHVLREGEWLSLNGSTGEVILGKQP
LSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCR
TEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLPYQRSDFEGIFRAMD
GLPVTIRLLDPPLHEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEV
NPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVG
TPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQ
AEFFSFGTNDLTQMTFGYSRDDVGKFIPVYLAQGILQHDPFEVLDQRGVG
ELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDYVSCSPFRV
PIARLAAAQVLV
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain1vbh Chain A Residue 3000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1vbh Crystal structures of pyruvate phosphate dikinase from maize revealed an alternative conformation in the swiveling-domain motion
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R564 R621 G771 N773 D774 C836 G837
Binding residue
(residue number reindexed from 1)		R550 R607 G757 N759 D760 C822 G823
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K27 R97 G106 M108 R340 H458 E750 S769 D774 C836 Y856
Catalytic site (residue number reindexed from 1) K25 R95 G104 M106 R329 H444 E736 S755 D760 C822 Y842
Enzyme Commision number 2.7.9.1: pyruvate, phosphate dikinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0046872 metal ion binding
GO:0050242 pyruvate, phosphate dikinase activity
Biological Process
GO:0006090 pyruvate metabolic process
GO:0015979 photosynthesis
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vbh, PDBe:1vbh, PDBj:1vbh
PDBsum1vbh
PubMed15667207
UniProtP11155|PPDK1_MAIZE Pyruvate, phosphate dikinase 1, chloroplastic (Gene Name=PPDK1)

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