Structure of PDB 6cd3 Chain A Binding Site BS03

Receptor Information
>6cd3 Chain A (length=170) Species: 119219 (Cupriavidus metallidurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTYGAPFNFPRWIDEHAHLLKPPVGNRQVWQDSDFIVTVVGGPNHRTDYH
DDPLEEFFYQLRGNAYLNLWVDGRRERADLKEGDIFLLPPHVRHSPQRPE
AGSACLVIERQRPAGMLDGFEWYCDACGHLVHRVEVQLKSAVTDLPPLFE
SFYASEDKRRCPHCGQVHPG
Ligand information
Ligand ID3HA
InChIInChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKeyWJXSWCUQABXPFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)N)C(=O)O
CACTVS 3.341Nc1c(O)cccc1C(O)=O
ACDLabs 10.04O=C(O)c1cccc(O)c1N
FormulaC7 H7 N O3
Name3-HYDROXYANTHRANILIC ACID;
2-AMINO-3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL445304
DrugBankDB03644
ZINCZINC000000388292
PDB chain6cd3 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6cd3 Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
Resolution2.612 Å
Binding residue
(original residue number in PDB)		V41 P97 R99 V108 E110
Binding residue
(residue number reindexed from 1)		V40 P96 R98 V107 E109
Annotation score3
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:6cd3, PDBe:6cd3, PDBj:6cd3
PDBsum6cd3
PubMed29784877
UniProtQ1LCS4|3HAO_CUPMC 3-hydroxyanthranilate 3,4-dioxygenase (Gene Name=nbaC)

[Back to BioLiP]