Structure of PDB 9b9o Chain A Binding Site BS02

Receptor Information
>9b9o Chain A (length=326) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTRNFSLPQLQNLPIEEARIVADALAVHATSRQIDSAASKLAALAEAGLK
GDRQAYAAYQQLLYVLSLSDDVATAQTRRWLARAIYRVEERFMPAADLSR
ALSEEDFQKRLEQEIAAQSRERHPMSQYVFSGSASRAQLQVFLRHQWFRT
FRLYRDAADLLVNLTDVDEAAALARYLYGELGEEDEKGSHPRLLAKLLEA
IGLEADFQAVSTMPEEIAYLNNRARAFRHAEVGWGLAVFYITELVVPGNH
EKLYRALLQAGLSEDQAEYYKVHISLVPPRAKREWQLIARRIPDVQFQNA
FLTSLSQHFRVERAYYDAIWEEMQSV
Ligand information
Ligand IDA1AL2
InChIInChI=1S/C6H9NO5S/c8-5(9)3-4(6(10)11)13-2-1-7-12/h1,4,12H,2-3H2,(H,8,9)(H,10,11)/b7-1-/t4-/m1/s1
InChIKeyQOSDLCYIAHKDCK-AMNQULHDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ON=CCS[CH](CC(O)=O)C(O)=O
ACDLabs 12.01OC(=O)CC(SC/C=N\O)C(=O)O
OpenEye OEToolkits 2.0.7C(C=NO)SC(CC(=O)O)C(=O)O
CACTVS 3.385O\N=C/CS[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(/C=N\O)S[C@H](CC(=O)O)C(=O)O
FormulaC6 H9 N O5 S
Name(2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain9b9o Chain A Residue 402 [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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PDB9b9o Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Resolution2.16 Å
Binding residue
(original residue number in PDB)		R121 Q147 R150 L154 Y177 Y220 H274
Binding residue
(residue number reindexed from 1)		R120 Q146 R149 L153 Y176 Y219 H273
Annotation score1
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:9b9o, PDBe:9b9o, PDBj:9b9o
PDBsum9b9o
PubMed39220707
UniProtA0A0C7AN42

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