Structure of PDB 1r6o Chain B Binding Site BS03

Receptor Information
>1r6o Chain B (length=141) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNQELELSLNMAFARAREHRHEFMTVEHLLLALLSNPSAREALEACSVD
LVALRQELEAFIEQTTPVLPASEEERDTQPTLSFQRVLQRAVFHVQSSGR
NEVTGANVLVAIFSEQESQAAYLLRKHEVSRLDVVNFISHG
Ligand information
Ligand IDYBT
InChIInChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14;/h10-14H,1-7H2;
InChIKeyKSJVCBJVYSTBHB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C[OH][Y]234[N]1(CC[OH]2)C(C[OH]3)(C[OH]4)CO
OpenEye OEToolkits 2.0.7C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[OH]4)CO
CACTVS 3.385[Y].OCCN(CCO)C(CO)(CO)CO
FormulaC8 H19 N O5 Y
NameBIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM
ChEMBL
DrugBank
ZINC
PDB chain1r6o Chain B Residue 414 [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]
PDB1r6o Crystallographic investigation of peptide binding sites in the N-domain of the ClpA chaperone
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R41 E42 E45
Binding residue
(residue number reindexed from 1)		R41 E42 E45
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1r6o, PDBe:1r6o, PDBj:1r6o
PDBsum1r6o
PubMed15037248
UniProtP0ABH9|CLPA_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpA (Gene Name=clpA)

[Back to BioLiP]