Structure of PDB 7fjl Chain E Binding Site BS02

Receptor Information
>7fjl Chain E (length=407) 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
DAHYVWL
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7fjl Chain E Residue 503 [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]
PDB7fjl Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		C70 H72 R73 C89 Y91 H92 W94
Binding residue
(residue number reindexed from 1)		C70 H72 R73 C89 Y91 H92 W94
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

[Back to BioLiP]