Structure of PDB 5od5 Chain A Binding Site BS03

Receptor Information
>5od5 Chain A (length=288) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPISMSDEGDSFLVKDSLGENKIPKNPSKVVILDLGILDTFDALKLNDK
VVGVPAKNLPKYLQQFKNKPSVGGVQQVDFEAINALKPDLIIISGRQSKF
YDKLKEIAPTLFVGLDNANFLSSFENNVLSVAKLYGLEKEALEKISDIKN
EIEKAKSIVDEDKKALIILTNSNKISAFGPQSRFGIIHDVLGINAVDENI
KVGTHGKSINSEFILEKNPDYIFVVDRNVILGNKERAQGILDNALVAKTK
AAQNKKIIYLDPEYWYLASGNGLESLKTMILEIKNAVK
Ligand information
Ligand ID9RT
InChIInChI=1S/C13H15N3O2S/c14-9-11-4-6-13(7-5-11)19(17,18)16-10-12-3-1-2-8-15-12/h1-8,16H,9-10,14H2
InChIKeyXVNHUDOTGRKSHU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2
OpenEye OEToolkits 2.0.6c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN
FormulaC13 H15 N3 O2 S
Name4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain5od5 Chain A Residue 404 [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]
PDB5od5 Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T226 H227
Binding residue
(residue number reindexed from 1)		T204 H205
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.74,Kd=18.3nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5od5, PDBe:5od5, PDBj:5od5
PDBsum5od5
PubMed
UniProtQ0P8Q4

[Back to BioLiP]