Structure of PDB 1fbo Chain A Binding Site BS01

Receptor Information
>1fbo Chain A (length=629) Species: 1521 (Ruminiclostridium cellulolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSPANKVYQDRFESMYSKIKDPANGYFSEQGIPYHSIETLMVEAPDYGH
VTTSEAMSYYMWLEAMHGRFSGDFTGFDKSWSVTEQYLIPTEKDQPNTSM
SRYDANKPATYAPEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLY
GMHWILDVDNWYGFGARADGTSKPSYINTFQRGEQESTWETIPQPCWDEH
KFGGQYGFLDLFTKDTGTPAKQFKYTNAPDADARAVQATYWADQWAKEQG
KSVSTSVGKATKMGDYLRYSFFDKYFRKIGQPSQAGTGYDAAHYLLSWYY
AWGGGIDSTWSWIIGSSHNHFGYQNPFAAWVLSTDANFKPKSSNGASDWA
KSLDRQLEFYQWLQSAEGAIAGGATNSWNGRYEAVPSGTSTFYGMGYVEN
PVYADPGSNTWFGMQVWSMQRVAELYYKTGDARAKKLLDKWAKWINGEIK
FNADGTFQIPSTIDWEGQPDTWNPTQGYTGNANLHVKVVNYGTDLGCASS
LANTLTYYAAKSGDETSRQNAQKLLDAMWNNYSDSKGISTVEQRGDYHRF
LDQEVFVPAGWTGKMPNGDVIKSGVKFIDIRSKYKQDPEWQTMVAALQAG
QVPTQRLHRFWAQSEFAVANGVYAILFPD
Ligand information
Ligand IDGLO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
InChIKeyGZCGUPFRVQAUEE-SLPGGIOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
ACDLabs 10.04O=CC(O)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O
FormulaC6 H12 O6
NameD-glucose;
D-GLUCOSE IN LINEAR FORM
ChEMBLCHEMBL448805
DrugBankDB01914
ZINCZINC000100009383
PDB chain1fbo Chain B 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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PDB1fbo Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E44 W411 D494 R609
Binding residue
(residue number reindexed from 1)		E44 W411 D494 R609
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1fbo, PDBe:1fbo, PDBj:1fbo
PDBsum1fbo
PubMed10985769
UniProtP37698|GUNF_RUMCH Endoglucanase F (Gene Name=celCCF)

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