Structure of PDB 5tcy Chain C Binding Site BS01

Receptor Information
>5tcy Chain C (length=288) Species: 1316921 (Campylobacter jejuni BJ-CJGB96299) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPISMSDEGDSFLVKDSLGENKIPKNPSKVVILDLGILDTFDALKLNDK
VVGVPAKNLPKYLQQFKNKPSVGGVQQVDFEAINALKPDLIIISGRQSKF
YDKLKEIAPTLFVGLDNANFLSSFENNVLSVAKLYGLEKEALEKISDIKN
EIEKAKSIVDEDKKALIILTNSNKISAFGPQSRFGIIHDVLGINAVDENI
KVGTLGKSINSEFILEKNPDYIFVVDRNVILGNKERAQGILDNALVAKTK
AAQNKKIIYLDPEYWYLASGNGLESLKTMILEIKNAVK
Ligand information
Ligand ID5LC
InChIInChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKeyBRWLZTCRFJVZDD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O
CACTVS 3.385Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
FormulaC19 H22 N2 O6
NameN,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
ChEMBLCHEMBL494328
DrugBank
ZINCZINC000040431154
PDB chain5tcy Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tcy Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q98 R118 K121 L191 R205 R249 Y288
Binding residue
(residue number reindexed from 1)		Q76 R96 K99 L169 R183 R227 Y266
Annotation score1
Binding affinityMOAD: Kd=22nM
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:5tcy, PDBe:5tcy, PDBj:5tcy
PDBsum5tcy
PubMed28383577
UniProtQ0P8Q4

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