Structure of PDB 2gr7 Chain B Binding Site BS01

Receptor Information
>2gr7 Chain B (length=101) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVAKGVTNLAGQVNNLEGKVNKVGKRADAGTASALAASQLPQATMPGKSM
VAIAGSSYQGQNGLAIGVSRISDNGKVIIRLSGTTNSQGKTGVAAGVGYQ
W
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain2gr7 Chain B Residue 1340 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gr7 Structure of the outer membrane translocator domain of the Haemophilus influenzae Hia trimeric autotransporter.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N1059 G1060
Binding residue
(residue number reindexed from 1)		N62 G63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links