Structure of PDB 3s61 Chain A Binding Site BS02

Receptor Information
>3s61 Chain A (length=413) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVHDLIGVGFGPSNIALAIALQERAQAQGALEVLFLDKQGDYRWHGNTLV
SQSELQISFLKDLVSLRNPTSPYSFVNYLHKHDRLVDFINLGTFYPCRME
FNDYLRWVASHFQEQSRYGEEVLRIEPMLSAGQVEALRVISRNADGEELV
RTTRALVVSPGGTPRIPQVFRALKGDGRVFHHSQYLEHMAKPMKIAIIGG
GQSAAEAFIDLNDSYPSVQADMILRASALKPADDSPFVNEVFAPKFTDLI
YSREHAERERLLREYHNTNYSVVDTDLIERIYGVFYRQKVSGIPRHAFRC
MTTVERATATAQGIELALRDAGSGELSVETYDAVILATGYERQLHRQLLE
PLAEYLGDHEIGRDYRLQTDERCKVAIYAQGFSQASHGLSDTLLSVLPVR
AEEISGSLYQHLK
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain3s61 Chain A Residue 445 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s61 Two Structures of an N-Hydroxylating Flavoprotein Monooxygenase: ORNITHINE HYDROXYLASE FROM PSEUDOMONAS AERUGINOSA.
Resolution3.03 Å
Binding residue
(original residue number in PDB)		Q64 K69 N254 F257 S410
Binding residue
(residue number reindexed from 1)		Q56 K61 N239 F242 S395
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.13.195: L-ornithine N(5)-monooxygenase (NADPH).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0031172 ornithine N5-monooxygenase activity
Biological Process
GO:0002049 pyoverdine biosynthetic process
GO:0006879 intracellular iron ion homeostasis
GO:0009058 biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3s61, PDBe:3s61, PDBj:3s61
PDBsum3s61
PubMed21757711
UniProtQ51548|PVDA_PSEAE L-ornithine N(5)-monooxygenase (Gene Name=pvdA)

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