Structure of PDB 5lu3 Chain A Binding Site BS01

Receptor Information
>5lu3 Chain A (length=88) Species: 869211 (Spirochaeta thermophila DSM 6578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEYLEMDLPFSYDGAGEYLWKTDDFSTTVDWGRYVNSWNLDLLEINGNDY
TNRWVAQHQVPPASDGYWYIHYKGSLAWSHVEMKLEHH
Ligand information
Ligand ID2NV
InChIInChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyLPPZTQZWMYYVLK-CYBMUJFWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01NC(C)COCCOCCOCCOCCOCC
CACTVS 3.385CCOCCOCCOCCOCCOC[CH](C)N
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCOCCOCCOCCOCCOC[C@@H](C)N
OpenEye OEToolkits 1.7.6CCOCCOCCOCCOCCOCC(C)N
FormulaC13 H29 N O5
Name3,6,9,12,15-pentaoxaoctadecan-17-amine;
Jeffamine ED-2001
ChEMBL
DrugBank
ZINCZINC000098208218
PDB chain5lu3 Chain A Residue 101 [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]
PDB5lu3 Stability and Ligand Promiscuity of Type A Carbohydrate-binding Modules Are Illustrated by the Structure of Spirochaeta thermophila StCBM64C.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W54 E86
Binding residue
(residue number reindexed from 1)		W54 E86
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links