Structure of PDB 6vib Chain A Binding Site BS03

Receptor Information
>6vib Chain A (length=175) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLTYGAPFNFPRWIDEHAHLLKPPVGNRQVWQDSDFIVTVVGGPNHRTD
YHDDPLEEFFYQLRGNAYLNLWVDGRRERADLKEGDIFLLPPHVRHSPQR
PEAGSACLVIERQRPAGMLDGFEWYCDACGHLVHRVEVQLKSIVTDLPPL
FESFYASEDKRRCPHCGQVHPGRAA
Ligand information
Ligand ID2FO
InChIInChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?
InChIKeyZJPKQPAJQMTZFR-FLYORBSUSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(=[N@H])/C(=C/C=C\O)/C(=O)O
OpenEye OEToolkits 1.7.6C(=CO)C=C(C(=N)C(=O)O)C(=O)O
CACTVS 3.385OC=CC=C(C(O)=O)C(=N)C(O)=O
CACTVS 3.385O/C=C\C=C(/C(O)=O)C(=N)C(O)=O
FormulaC7 H7 N O5
Name(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain6vib Chain A Residue 204 [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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PDB6vib Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		V41 H51 E57 F59 H95 P97 R99 V108 E110 I142
Binding residue
(residue number reindexed from 1)		V42 H52 E58 F60 H96 P98 R100 V109 E111 I143
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.6: 3-hydroxyanthranilate 3,4-dioxygenase.
Gene Ontology
Molecular Function
GO:0000334 3-hydroxyanthranilate 3,4-dioxygenase activity
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006569 tryptophan catabolic process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process
GO:0019805 quinolinate biosynthetic process
GO:0034354 'de novo' NAD biosynthetic process from tryptophan
GO:0043420 anthranilate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6vib, PDBe:6vib, PDBj:6vib
PDBsum6vib
PubMed32732435
UniProtQ1LCS4|3HAO_CUPMC 3-hydroxyanthranilate 3,4-dioxygenase (Gene Name=nbaC)

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