Structure of PDB 6g1i Chain A Binding Site BS01

Receptor Information
>6g1i Chain A (length=210) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGYFPPGTSKHELIARASSLKVSEVKAIIKKQVDEHWDVIRDVCGFKNKE
VAYAFFFGMATRESTFRAATETGSGASHAFGPLQTAETAYANANPNYMPE
HNVPEMHQYDFTEYNFYDVGISVHMGIRHFLHFARLAKEKYSGRDIARHG
LMGYNTGWIDGADESWIVRYADETAALGAWYLRNNHMSDDEFTWDTDPRV
DRSNPWEIYY
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain6g1i 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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PDB6g1i Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Resolution0.99 Å
Binding residue
(original residue number in PDB)		E203 S217 Q224 Y294 N295
Binding residue
(residue number reindexed from 1)		E63 S77 Q84 Y154 N155
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links