Structure of PDB 5nnb Chain B Binding Site BS01

Receptor Information
>5nnb Chain B (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)		W59 W61
Binding residue
(residue number reindexed from 1)		W58 W60
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

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

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