Structure of PDB 6bxl Chain B Binding Site BS02

Receptor Information
>6bxl Chain B (length=337) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLHEIPKSEILKELKRIGAKRVLIQSPEGLRREAEELAGFLEENNIEVFL
HGEINYGACDPADREAKLVGCDALIHLGHSYMKLPLEVPTIFVPAFARVS
VVEALKENIGEIKKLGRKIIVTTTAQHIHQLKEAKEFLESEGFEVSIGRG
DSRISWPGQVLGCNYSVAKVRGEGILFIGSGIFHPLGLAVATRKKVLAID
PYTKAFSWIDPERFIRKRWAQIAKAMDAKKFGVIVSIKKGQLRLAEAKRI
VKLLKKHGREARLIVMNDVNYHKLEGFPFEAYVVVACPRVPLDWRKPVLT
PKEVEILLGLREEYEFDEILGGPRESDEPFGISIHST
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 chain6bxl Chain B Residue 402 [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]
PDB6bxl Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		Y56 C59 G162 C163 C287 R289
Binding residue
(residue number reindexed from 1)		Y56 C59 G162 C163 C287 R289
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.108: 2-(3-amino-3-carboxypropyl)histidine synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0090560 2-(3-amino-3-carboxypropyl)histidine synthase activity
Biological Process
GO:0017183 protein histidyl modification to diphthamide
GO:0050843 S-adenosylmethionine catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6bxl, PDBe:6bxl, PDBj:6bxl
PDBsum6bxl
PubMed29590073
UniProtO58832|DPH2_PYRHO 2-(3-amino-3-carboxypropyl)histidine synthase (Gene Name=dph2)

[Back to BioLiP]