Structure of PDB 3x2p Chain A Binding Site BS03

Receptor Information
>3x2p 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 chain3x2p Chain B Residue 4 [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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PDB3x2p Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Resolution0.99 Å
Binding residue
(original residue number in PDB)		T16 M17 Y67 F95 G131
Binding residue
(residue number reindexed from 1)		T16 M17 Y67 F95 G131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links