Structure of PDB 7y4r Chain B Binding Site BS01

Receptor Information
>7y4r Chain B (length=108) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNWTEFVPAVKKAFGALGKQHPKMLAAYGALEEASAEGALDAKTRELISI
AVAITTRCDGCIGVHTEAALKAGASEAEIAQTLATAISLNAGAAYVYSLR
ALEAYDQF
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain7y4r Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7y4r Crystal structure of the putative HOCl and HOSCN-responsive peroxiredoxin RclX from Pseudomonas aeruginosa
Resolution2.51 Å
Binding residue
(original residue number in PDB)		D108 F110
Binding residue
(residue number reindexed from 1)		D106 F108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0051920 peroxiredoxin activity
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:7y4r, PDBe:7y4r, PDBj:7y4r
PDBsum7y4r
PubMed
UniProtQ9I5X1

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