Structure of PDB 5nlj Chain B Binding Site BS03

Receptor Information
>5nlj Chain B (length=71) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIFVKTLTGKTITLVVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQL
EDGRTLSDYNIQKESTLHLVL
Ligand information
Ligand IDETF
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyRHQDFWAXVIIEBN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC(F)(F)F
ACDLabs 10.04FC(F)(F)CO
OpenEye OEToolkits 1.5.0C(C(F)(F)F)O
FormulaC2 H3 F3 O
NameTRIFLUOROETHANOL
ChEMBLCHEMBL116675
DrugBankDB03226
ZINCZINC000003860799
PDB chain5nlj Chain B Residue 107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nlj Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		L8 Q40
Binding residue
(residue number reindexed from 1)		L8 Q40
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5nlj, PDBe:5nlj, PDBj:5nlj
PDBsum5nlj
PubMed29266436
UniProtP0CG47|UBB_HUMAN Polyubiquitin-B (Gene Name=UBB)

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