Structure of PDB 3x2k Chain A Binding Site BS03

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 IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3x2k Chain B Residue 3 [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]
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)		S23 A25 P46 G47 G49 W154
Binding residue
(residue number reindexed from 1)		S23 A25 P46 G47 G49 W154
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links