Structure of PDB 4klv Chain A Binding Site BS01

Receptor Information
>4klv Chain A (length=159) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAERR
GSTVAVHDGQVLGFANFYQWQHGDFCALGNMMVAPAARGLGVARYLIGVM
ENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVA
LIQMDKPLE
Ligand information
Ligand IDKLV
InChIInChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKeyBCHIXGBGRHLSBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2
OpenEye OEToolkits 1.7.6CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O
CACTVS 3.370CC1=CC(=O)Oc2cc(O[P](O)(O)=O)ccc12
FormulaC10 H9 O6 P
Name4-methylumbelliferyl phosphate;
4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
ChEMBLCHEMBL255305
DrugBank
ZINCZINC000001895413
PDB chain4klv Chain A Residue 216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4klv Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		C29 P31 R49 Y68 G79 N80 R141
Binding residue
(residue number reindexed from 1)		C29 P31 R49 Y68 G79 N80 R141
Annotation score1
Binding affinityMOAD: Kd=165.3uM
PDBbind-CN: -logKd/Ki=3.78,Kd=165.3uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4klv, PDBe:4klv, PDBj:4klv
PDBsum4klv
PubMed24003232
UniProtQ9HV14

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