Structure of PDB 7uq1 Chain A Binding Site BS01

Receptor Information
>7uq1 Chain A (length=210) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMISKINGKLFADMIIQGAQNLSNNADLVDSLNVYPVPDGDTGTNMNL
TMTSGREEVENNLSKNIGELGKTFSKGLLMGARGNSGVILSQLFRGFCKN
IESESEINSKLLAESFQAGVETAYKAVMKPVEGTILTVAKDAAQAAIEKA
NNTEDCIELMEYIIVKANESLENTPNLLAVLKEVGVVDSGGKGLLCVYEG
FLKALKGEKV
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain7uq1 Chain A Residue 301 [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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PDB7uq1 The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and a single Mg atom in the dinuclear binding site.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		N32 Y34 P35 T41 N44 N82 S83 I86 V128 T131 I132 L133 D185 G187
Binding residue
(residue number reindexed from 1)		N35 Y37 P38 T44 N47 N85 S86 I89 V131 T134 I135 L136 D188 G190
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004371 glycerone kinase activity
Biological Process
GO:0006071 glycerol metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7uq1, PDBe:7uq1, PDBj:7uq1
PDBsum7uq1
PubMed35490779
UniProtQ2FZ58|Y1193_STAA8 Uncharacterized protein SAOUHSC_01193 (Gene Name=SAOUHSC_01193)

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