Structure of PDB 5jvn Chain A Binding Site BS02

Receptor Information
>5jvn Chain A (length=873) Species: 4226 (Flaveria pringlei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKRVFTFGKGRSEGNKDMKSLLGGKGANLAEMASIGLSVPPGLTISTEA
CEEYQQNGKKLPPGLWDEILEGLRYVQKEMSASLGDPSKPLLLSVRSGAA
ISMPGMMDTVLNLGLNDEVVAGLAGKSGARFAYDSYRRFLDMFGNVVMGI
PHSLFDEKLEEMKAEKGVHLDTDLTAADLKDLVEQYKNVYVEAKGEKFPT
DPKKQLELAVNAVFDSWDSPRANKYRSINQITGLKGTAVNIQCMVFGNMG
NTSGTGVLFTRNPSTGEKKLYGEFLVNAQGEDVVAGIRTPEDLATMETCM
PEAYRELVENCKILERHYKDMMDIEFTVQENRLWMLQCRTGKRTGKGAVR
IAVDMVNEGLIDTRTAIKRVETQHLDQLLHPQFENPSAYKSHVVATGLPA
SPGAAVGQVVFSAEDAETWHAQGKSAILVRTETSPEDVGGMHAAAGILTA
RGGMTSHAAVVARGWGKCCVSGCADIRVNDDMKVLTIRVIKEGDWLSLNG
STGEVILGKQLLAPPAMSNDLETFMSWADQVRRLKVMANADTPNDALTAR
NNGAQGIGLCRTEHMFFASDERIKAVRKMIMAVTPEQRKAALDLLLPYQR
SDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGDLEHIVNELAVDTGMSEDE
IYSKIEKLSEVNPMLGFRGCRLGISYPELTEMQVRAIFQAAVSMNNQGVT
VIPEIMVPLVGTPQELRHQIGVIRGVAANVFAEMGLTMDYKVGTMIEIPR
AALIAEEIAKEAEFFSFGTNDLTQMTFGYSRDDVGKFLQIYLSQGILQHD
PFEVLDQKGVGQLIKMATEKGRAANPNLKVGICGEHGGEPSSVAFFDGVG
LDYVSCSPFRVPIARLAAAQVVV
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 chain5jvn Chain A Residue 902 [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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PDB5jvn Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R562 R619 E748 G769 N771 D772
Binding residue
(residue number reindexed from 1)		R561 R618 E747 G768 N770 D771
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K25 R95 G104 M106 R338 H456 E748 S767 D772 C834 Y854
Catalytic site (residue number reindexed from 1) K26 R96 G105 M107 R339 H457 E747 S766 D771 C833 Y853
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:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5jvn, PDBe:5jvn, PDBj:5jvn
PDBsum5jvn
PubMed28358005
UniProtQ42736|PPDK_FLAPR Pyruvate, phosphate dikinase, chloroplastic (Gene Name=PPDK)

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