Structure of PDB 6k55 Chain C Binding Site BS02

Receptor Information
>6k55 Chain C (length=428) Species: 2099665 (Ardenticatenia bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDNPFIGAIGYVNPDWATNVISQANQTADPTLAAQMRKVATYSTAVWLD
RIAAITAGRGLRGHLDEALRQMQQAGQPVVITLVIYDLPNRDCSAAASNG
ELLVAQNGLARYKAEFIDPIVAILSDPRYAGLRIVTIIEPASLPNLVTNL
SIPACAEAQNAYIEGIRYAVNRLRTIPNVYIYLDIAHSGWLGWDNNFNGA
VNLYTQVVQGMDQGFNSIDGFITNVANYTPLEEPYLPDPNLTIAGQPVRS
ASFYEWNPYFDELDYALALRNAFIGRGFPSTIGMLIDTSRNGWGGCSYGR
CRPTGPSSDTSSVNAYVDGSRVDRRYHRGNWCNQAGGIGERPQAAPRSGI
DAYVWVKPPGESDGVSQPGIVDPDDPNKKFDPMCDPNGQSRYNSAYPTGA
LPNAPHAGRWFPQQFEILVRNAYPPIQP
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 chain6k55 Chain F Residue 3 [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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PDB6k55 A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
Resolution2.883 Å
Binding residue
(original residue number in PDB)		S93 H186 G188 W189 Y391
Binding residue
(residue number reindexed from 1)		S94 H187 G189 W190 Y392
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
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:6k55, PDBe:6k55, PDBj:6k55
PDBsum6k55
PubMed
UniProtA0A4Y1YS11

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