Structure of PDB 5od5 Chain C Binding Site BS01

Receptor Information
>5od5 Chain C (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 ID95B
InChIInChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1
InChIKeyKQPFLOCEYZIIRD-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c2cccc(O)c2O
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)O)O)C(=O)NCCCCC(C(=O)O)NC(=O)c2cccc(c2O)O
CACTVS 3.385OC(=O)[CH](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c2cccc(O)c2O
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O
FormulaC20 H22 N2 O8
NameAzotochelin
ChEMBLCHEMBL494132
DrugBank
ZINCZINC000003650087
PDB chain5od5 Chain C Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5od5 Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q98 R118 K121 R205 R249 L253 Y288
Binding residue
(residue number reindexed from 1)		Q76 R96 K99 R183 R227 L231 Y266
Annotation score1
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

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

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