Structure of PDB 3x2k Chain A Binding Site BS09

Receptor Information
>3x2k Chain A (length=180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATGGYVQQATGQASFTMYSGCGSPACGKAASGFTAAINQLAFGSAPGLGA
GDACGRCFALTGNHDPYSPNYTGPFGQTIVVKVTDLCPVQGNQEFCGQTT
SNPTNQHGMPFHFNICEDTGGSAKFFPSGHGALTGTFTEVSCSQWSGSDG
GQLWNGACLSGETAPNWPSTACGNKGTAPS
Ligand information
Ligand ID40S
InChIInChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKeySXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(CCO)CCO
ACDLabs 12.01OCCC(C)CCO
FormulaC6 H14 O2
Name3-methylpentane-1,5-diol
ChEMBL
DrugBank
ZINCZINC000000391230
PDB chain3x2k Chain A Residue 213 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3x2k Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Resolution1.182 Å
Binding residue
(original residue number in PDB)		C21 G22 S31 D118
Binding residue
(residue number reindexed from 1)		C21 G22 S31 D118
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links