Structure of PDB 6k55 Chain C Binding Site BS08

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6k55 Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)
D2 T280 D350
Binding residue
(residue number reindexed from 1)
D3 T281 D351
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

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Biological Process
External links
PDB RCSB:6k55, PDBe:6k55, PDBj:6k55
PDBsum6k55
PubMed
UniProtA0A4Y1YS11

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