Structure of PDB 6fop Chain A Binding Site BS04

Receptor Information
>6fop Chain A (length=717) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYYREGTGSYTVVLPPGAKVPQAEIYKTSNLQGAVPTNSWESSILWNQYS
LPIYAHPLTFKFKAEGIEVGKPALGGSGIAYFGAHKNDFTVGHSSVYTFP
DARADKISDFAVDAVMASGSGSIKATLMKGSPYAYFVFTGGNPRIDFSGT
PTVFYGDSGSQCLGVTINGVNYGLFAPSGSKWQGIGTGTITCILPAGKNY
FSIAVLPDNTVSTLTYYKDYAYCFVTDTKVEWSYNETESTLTTTFTAEVS
VKEGTNKGTILALYPHQWRNNPHILPLPYTYSTLRGIMKTIQGTSFKTVY
RYHGILPNLPDKGTYDREALNRYINELALQADAPVAVDTYWFGKHLGKLS
CALPIAEQLGNISAKDRFISFMKSSLEDWFTAKEGETAKLFYYDSNWGTL
IGYPSSYGSDEELNDHHFHYGYFLHAAAQIALRDPQWASRDNWGAMVELL
IKDIANWDRNDTRFPFLRNFDPYEGHSWASGHAGFADGNNQASSSEAINA
WQAIILWGEATGNKTIRDLGIYLYTTEVEAVCNYWFDLYKDIFSPSYGHN
YASMVWGGKYCHEIWWNGTNSEKHGINFLPITAASLYLGKDPNYIKQNYE
EMLRECGTSQPPNWKDIQYMYYALYDPAAAKNMWNESIVPEDGESKAHTY
HWICNLDSLGLPDFSVTADTPLYSVFNKNNIRTYVVYNASSSAKKVTFSD
GKVMTVGPHSMAVSTGS
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 chain6fop Chain A Residue 824 [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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PDB6fop Novel insights into the degradation of beta-1,3-glucans by the cellulosome of Clostridium thermocellum revealed by structure and function studies of a family 81 glycoside hydrolase.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y49 I67 N70 Q71 Y72 A125
Binding residue
(residue number reindexed from 1)		Y26 I44 N47 Q48 Y49 A102
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005509 calcium ion binding
GO:0016151 nickel cation binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
GO:0046872 metal ion binding
GO:0052861 endo-1,3(4)-beta-glucanase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6fop, PDBe:6fop, PDBj:6fop
PDBsum6fop
PubMed29870811
UniProtA3DD66|ENG1_ACET2 Glucan endo-1,3-beta-D-glucosidase (Gene Name=Lam81A)

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