Structure of PDB 6slr Chain C Binding Site BS01

Receptor Information
>6slr Chain C (length=80) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASGDVCQDCIQMVTDIQTAVRTNSTFVQALVEHVKEECDRLGGMADICK
NYISQYSEIAIQMMMHMQPKEICALVGFCD
Ligand information
Ligand IDAOQ
InChIInChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
InChIKeyKUCQYCKVKVOKAY-CTYIDZIISA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1ccc(cc1)C4CCC(C=3C(=O)c2ccccc2C(=O)C=3O)CC4
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl
CACTVS 3.385OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O
CACTVS 3.385OC1=C([CH]2CC[CH](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O
FormulaC22 H19 Cl O3
Name2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione;
Atovaquone
ChEMBLCHEMBL1450
DrugBankDB01117
ZINCZINC000116473771
PDB chain6slr Chain C Residue 201 [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]
PDB6slr Structure of saposin B in complex with atovaquone
Resolution2.38 Å
Binding residue
(original residue number in PDB)		M61 M65 L73
Binding residue
(residue number reindexed from 1)		M63 M67 L75
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006665 sphingolipid metabolic process
Cellular Component
GO:0005764 lysosome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6slr, PDBe:6slr, PDBj:6slr
PDBsum6slr
PubMed
UniProtP07602|SAP_HUMAN Prosaposin (Gene Name=PSAP)

[Back to BioLiP]