Structure of PDB 7fjl Chain B Binding Site BS01

Receptor Information
>7fjl Chain B (length=412) Species: 399795 (Comamonas testosteroni KF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMTHEENELLCRVEGDAPMGRLMRRHWTPICLVEEVGEPDGTPVKARAFG
EDLVVFRDSEGRVGVMDEYCPHRRASLVYGRNEEGGLRCLYHGWKMDVDG
NVLEMASEPAASGMVDKVKHTAYPTQEWAGMVWAYMGPKETMPEFLPPAW
APTADTRVSIAKVLLPCNWAQILEGAIDSAHSSSLHSSDMRPSTDKAPRM
QVQRTGYGFRYAALRRPLSNAAENDYVRSTVFVAPATALIPPNNLYNVAN
INVPMDDTNTAFYFIAWGHPSQTPETETWRKFLRQTVGVDLDQNYRPLRN
EANKFWQDRNAMKAGNFTGITGFPNQDVAMWLTMGPIADRTHDRLGASDL
AIVEFRKQMLDAVKAFEQGAPAIGTGVEAATPTVCSFQAIVPKTTDWRTY
DAHYVWLDGQDR
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain7fjl Chain B Residue 501 [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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PDB7fjl Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		H181 H186 D343
Binding residue
(residue number reindexed from 1)		H181 H186 D327
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7fjl, PDBe:7fjl, PDBj:7fjl
PDBsum7fjl
PubMed34800435
UniProtB7WQT1

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