Structure of PDB 5snh Chain B Binding Site BS01

Receptor Information
>5snh Chain B (length=412) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA
Ligand information
Ligand IDO1M
InChIInChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKeyXARVCWHXIZRCGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
OpenEye OEToolkits 2.0.6c1cc(ccc1N2CCN(CC2)C(=O)N)F
CACTVS 3.385NC(=O)N1CCN(CC1)c2ccc(F)cc2
FormulaC11 H14 F N3 O
Name4-(4-fluorophenyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINCZINC000000386756
PDB chain5snh Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5snh PanDDA analysis group deposition
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P132 F133 P136
Binding residue
(residue number reindexed from 1)		P131 F132 P135
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.179: beta-ketoacyl-[acyl-carrier-protein] synthase II.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
Cellular Component
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:5snh, PDBe:5snh, PDBj:5snh
PDBsum5snh
PubMed
UniProtG3XDA2

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