Structure of PDB 3x2m Chain A Binding Site BS05

Receptor Information
>3x2m Chain A (length=180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATGGYVQQATGQASFTMYSGCGSPACGKAASGFTAAINQLAFGSAPGLGA
GDACGRCFALTGNHDPYSPNYTGPFGQTIVVKVTDLCPVQGNQEFCGQTT
SNPTNQHGMPFHFDICEDTGGSAKFFPSGHGALTGTFTEVSCSQWSGSDG
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 chain3x2m Chain C Residue 1 [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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PDB3x2m Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Resolution0.64 Å
Binding residue
(original residue number in PDB)		Y18 A36 L86 C87 P88 N92 D114
Binding residue
(residue number reindexed from 1)		Y18 A36 L86 C87 P88 N92 D114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links