Structure of PDB 4fey Chain A Binding Site BS01

Receptor Information
>4fey Chain A (length=392) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSFLTLKDVDLKDKKVLVRVDFNVPVKDGKVTSKVRIEAAIPTIQYILDQ
GGAVILMSHLGRPTEGEYDSQFSLEPVAKALSEIINKPVKFAKDWLDGVD
VKAGEIVMCENVRFNSGEKKSTDDLSKKIASLGDVFVMDAFATAHRAQAS
TYGVAKYIPVACAGILLTNEIQALEKALKSPKKPMAAIVGGSKVSTKLSV
LNNLLDKVEILIVGGGIANTFIKAEGFDVGNSLYEQDLVAEATEILAKAK
ALGVNIPVPVDVRVAKEFSENAQAIIKKVSDVVADEMILDIGPESQKIIA
ELLKSANTILWNGPVGVFEFDNFAEGTKALSLAIAQSHAFSVAGGGDTIA
AIEKFGIKDQVSYISTAGGAFLEFLEGKKLPAIEILKEKAIR
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4fey Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fey An X-ray Structure of a Putative Phosphogylcerate Kinase with Bound ADP from Francisella tularensis subsp. tularensis SCHU S4
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G191 S192 K197 G215 G316 V317 E319 D347
Binding residue
(residue number reindexed from 1)		G191 S192 K197 G215 G316 V317 E319 D347
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R36 K193 G346 G369
Catalytic site (residue number reindexed from 1) R36 K193 G346 G369
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0004618 phosphoglycerate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fey, PDBe:4fey, PDBj:4fey
PDBsum4fey
PubMed
UniProtQ5NF76|PGK_FRATT Phosphoglycerate kinase (Gene Name=pgk)

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