Structure of PDB 7q05 Chain D Binding Site BS03

Receptor Information
>7q05 Chain D (length=382) Species: 34028 (Comamonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESIIQWHGATNTRVPFGIYTDTANADQEQQRIYRGEVWNYLCLESEIPGA
GDFRTTFAGETPIVVVRDADQEIYAFENRCAHRGALIALEKSGRTDSFQC
VYHAWSYNRQGDLTGVAFEKGVKGQGGMPASFCKEEHGPRKLRVAVFCGL
VFGSFSEDVPSIEDYLGPEICERIERVLHKPVEVIGRFTQKLPNNWKLYF
ENVKDSYHASLLHMFFTTFESQKGGVIVDESGGHHVSYSMLKDPSLLEGF
EEFEDGVTLQILSVFPGFVLQQIQNSIAVRQLLPKSISSSELNWTYLGYA
DDSAEQRKVRLKQANLIGPAGFISMEDGAVGGFVQRGIAGAANLDAVIEM
GGDHEGSSEGRATETSVRGFWKAYRKHMGQEM
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7q05 Chain D Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q05 Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		H210 H215 D356
Binding residue
(residue number reindexed from 1)		H208 H213 D327
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.12.15: terephthalate 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0018628 terephthalate 1,2-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0018963 phthalate metabolic process
GO:0044237 cellular metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7q05, PDBe:7q05, PDBj:7q05
PDBsum7q05
PubMed35312352
UniProtQ3C1D5|TPDA2_COMSP Terephthalate 1,2-dioxygenase, terminal oxygenase component subunit alpha 2 (Gene Name=tphA2II)

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