Structure of PDB 5tgs Chain B Binding Site BS01

Receptor Information
>5tgs Chain B (length=231) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKGIPVLEIFGPTIQGEGMVIGQKTMFVRTAGCDYSCSWCDSAFTWDGSA
KKDIRWMTAEEIFAELKDIGGDAFSHVTISGGNPALLKQLDAFIELLKEN
NIRAALETQGTVYQDWFTLIDDLTISPKPPSSKMVTNFQKLDHILTSLQE
NDRQHAVSLKVVIFNDEDLEFAKTVHKRYPGIPFYLQVGNDDSLIAHLLG
KYEALVDKVAVDAELNLVRVLPQLHTLLWGN
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5tgs Chain B Residue 301 [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]
PDB5tgs 7-Carboxy-7-deazaguanine Synthase: A Radical S-Adenosyl-l-methionine Enzyme with Polar Tendencies.
Resolution2.548 Å
Binding residue
(original residue number in PDB)		C34 Y36 C38 C41 K129
Binding residue
(residue number reindexed from 1)		C33 Y35 C37 C40 K128
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F28 C34 C41 D42 S43 E108
Catalytic site (residue number reindexed from 1) F27 C33 C40 D41 S42 E107
Enzyme Commision number 4.3.99.3: 7-carboxy-7-deazaguanine synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016840 carbon-nitrogen lyase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0008616 queuosine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5tgs, PDBe:5tgs, PDBj:5tgs
PDBsum5tgs
PubMed28045519
UniProtO31677|QUEE_BACSU 7-carboxy-7-deazaguanine synthase (Gene Name=queE)

[Back to BioLiP]