Structure of PDB 6z1x Chain A Binding Site BS01

Receptor Information
>6z1x Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQSTFVFEEIGRRLKDIGPEVVKKVNAVFEWHITKGGNIGAKWTIDLKSG
SGKVYQGPAKGAADTTIILSDEDFMEVCLGKLDPQKAFFSGRLKARGNIM
LSQKLQMILKDYAKL
Ligand information
Ligand IDOXN
InChIInChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3
InChIKeyIVKNZCBNXPYYKL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
CACTVS 3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
FormulaC34 H62 O11
NameOXTOXYNOL-10;
ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL);
TRITON X-100
ChEMBLCHEMBL1235043
DrugBank
ZINCZINC000058633062
PDB chain6z1x Chain A 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]
PDB6z1x Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Resolution2.09 Å
Binding residue
(original residue number in PDB)		W36 Q90 M105 S107 Q108 Q111
Binding residue
(residue number reindexed from 1)		W31 Q85 M100 S102 Q103 Q106
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.n12: (3R)-hydroxyacyl-CoA dehydrogenase.
4.2.1.107: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA hydratase.
4.2.1.119: enoyl-CoA hydratase 2.
External links
PDB RCSB:6z1x, PDBe:6z1x, PDBj:6z1x
PDBsum6z1x
PubMed
UniProtP51659|DHB4_HUMAN Peroxisomal multifunctional enzyme type 2 (Gene Name=HSD17B4)

[Back to BioLiP]