Structure of PDB 5xbp Chain A Binding Site BS02

Receptor Information
>5xbp Chain A (length=444) Species: 1302548 (Diaphorobacter sp. DS2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQNLVSEAGLTQKHLIHGDKELFQHEMKTIFARNWLFLTHDSLIPSPGD
YVTAKMGLDEVIVSRQNDGSVRAFLNVCRHRGKTIVHAEAGNAKGFVCNY
HGWGYGTNGELQSVPFEKELYGDAIKKKCLGLKEVPRIESFHGFIYGCFD
AEAPPLIDYLGDAAWYMEPTFKHSGGLELVGPPGKVVVKANWKTFAENFV
GDIYHVGWTHASILRVGQSVFTPLAGNAMLPPEGSGLQMTSKYGSGMSLM
WDYYAGNHSADLVPDLMAFGGAKQEKLAKEIGDVRARIYRSHLNGTIFPN
NSFLTGSAAFKVWNPIDENTTEVWTYAFVEKDMPEDLKRRLADAVQRTVG
PGGYWESDDNDNMETLSQNAKKYQSSNSDLIASLGFGKDVYGDECYPGVV
GPSGASETSYRGFYRAYQAHISSSNWAEFENASRNWHTELTKTT
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 chain5xbp Chain A Residue 502 [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]
PDB5xbp Structural and functional studies of ferredoxin and oxygenase components of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C79 H81 R82 C99 Y101 H102
Binding residue
(residue number reindexed from 1)		C78 H80 R81 C98 Y100 H101
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H102 D203 H206 H211 D360
Catalytic site (residue number reindexed from 1) H101 D202 H205 H210 D359
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0044237 cellular metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5xbp, PDBe:5xbp, PDBj:5xbp
PDBsum5xbp
PubMed28448625
UniProtM9PW10

[Back to BioLiP]