Structure of PDB 5nnb Chain A Binding Site BS02

Receptor Information
>5nnb Chain A (length=255) Species: 187304 (Roseibium aggregatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLNQLVSGLASGAVRIVDLTHTLDPDFPVIVLPPEFGQCARFRMEEISA
YDHRGPAWKWHNISMSEHTGTHFDAPSHWISGKDVPNGSVDEIPAEAFVG
PVVVIDCSKGAAENDDFELTPEIIAGWESEHGRIPEDAWVLMRTDWSKRR
GADYLNMRADGPHSPGPTPEAIRFLIEERNIRGFGTETVGTDAGQGAHYV
PPYPAHYLLHGAGKYGLQCLANLDQLPATGAVLIAAPLKIKNGTGSPLRV
LAMVT
Ligand information
Ligand ID92K
InChIInChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)
InChIKeyMQMWPBBDMIYYMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)C(=O)O)N
CACTVS 3.385Nc1ccccc1C(=O)C(O)=O
FormulaC8 H7 N O3
NameIsatinic acid
ChEMBL
DrugBank
ZINCZINC000002026646
PDB chain5nnb Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nnb A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I32 L34 H69 D75 H79 W80 Y204 H207
Binding residue
(residue number reindexed from 1)		I31 L33 H68 D74 H78 W79 Y203 H206
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004061 arylformamidase activity
GO:0046872 metal ion binding
Biological Process
GO:0019441 tryptophan catabolic process to kynurenine

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5nnb, PDBe:5nnb, PDBj:5nnb
PDBsum5nnb
PubMed30166577
UniProtA0P0F0

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