Structure of PDB 1ia7 Chain A Binding Site BS02

Receptor Information
>1ia7 Chain A (length=431) Species: 1521 (Ruminiclostridium cellulolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGTHDYSTALKDSIIFFDANKCGPQAGENNVFDWRGACHTTDGSDVGVDL
TGGYHDAGDHVKFGLPQGYSAAILGWSLYEFKESFDATGNTTKMLQQLKY
FTDYFLKSHPNSTTFYYQVGEGNADHTYWGAPEEQTGQRPSLYKADPSSP
ASDILSETSAALTLMYLNYKNIDSAYATKCLNAAKELYAMGKANQGVGNG
QSFYQATSFGDDLAWAATWLYTATNDSTYITDAEQFITLGNTMNENKMQD
KWTMCWDDMYVPAALRLAQITGKQIYKDAIEFNFNYWKTQVTTTPGGLKW
LSNWGVLRYAAAESMVMLVYCKQNPDQSLLDLAKKQVDYILGDNPANMSY
IIGYGSNWCIHPHHRAANGYTYANGDNAKPAKHLLTGALVGGPDQNDKFL
DDANQYQYTEVALDYNAGLVGVLAGAIKFFG
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 chain1ia7 Chain B Residue 2 [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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PDB1ia7 Crystal structure of the cellulase Cel9M enlightens structure/function relationships of the variable catalytic modules in glycoside hydrolases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H126 H363 R365 Y406 E410
Binding residue
(residue number reindexed from 1)		H126 H363 R365 Y406 E410
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D56 D59 Y204 E410
Catalytic site (residue number reindexed from 1) D56 D59 Y204 E410
Enzyme Commision number 3.2.1.-
3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ia7, PDBe:1ia7, PDBj:1ia7
PDBsum1ia7
PubMed12220178
UniProtQ9EYQ2

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