Structure of PDB 2ako Chain C Binding Site BS01

Receptor Information
>2ako Chain C (length=241) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRIVVKVGSHVISEENTLSFERLKNLVAFLAKLMEKYEVILVTSAAISAG
HTKLDIDRKNLINKQVLAAIGQPFLISVYNELLAKFNKLGGQILLTGKDF
DSRKATKHAKNAIDMMINLGILPIINENDATAIEEIVFGDNDSLSAYATH
FFDADLLVILSDIDGFYDKNPSEFSDAKRLEKITHIKEEWLHGTGGIVTK
LKAAKFLLEHNKKMFLASGFDLSVAKTFLLEDKQIGGTLFE
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 chain2ako Chain C Residue 854 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ako Crystal structure of Glutamate 5-kinase from Campylobacter jejuni
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H11 S162 D163 I164 F167 Y168 N171 P172 S173 T204 G206 I207 K210
Binding residue
(residue number reindexed from 1)		H10 S161 D162 I163 F166 Y167 N170 P171 S172 T194 G196 I197 K200
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.2.11: glutamate 5-kinase.
Gene Ontology
Molecular Function
GO:0004349 glutamate 5-kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006561 proline biosynthetic process
GO:0008652 amino acid biosynthetic process
GO:0016310 phosphorylation
GO:0055129 L-proline biosynthetic process
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:2ako, PDBe:2ako, PDBj:2ako
PDBsum2ako
PubMed
UniProtQ9PJ29|PROB_CAMJE Glutamate 5-kinase (Gene Name=proB)

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