Structure of PDB 1gnx Chain B Binding Site BS01

Receptor Information
>1gnx Chain B (length=447) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTFPEGFLWGSATASYQIEGAAAEDGRTPSIWDTYARTPGRVRNGDTGD
VATDHYHRWREDVALMAELGLGAYRFSLAWPRIQPTGRGPALQKGLDFYR
RLADELLAKGIQPVATLYHWDLPQELENAGGWPERATAERFAEYAAIAAD
ALGDRVKTWTTLNEPWCSAFLGYGSGVHAPGRTDPVAALRAAHHLNLGHG
LAVQALRDRLPADAQCSVTLNIHHVRPLTDSDADADAVRRIDALANRVFT
GPMLQGAYPEDLVKDTAGLTDWSFVRDGDLRLAHQKLDFLGVNYYSPTLV
SHSPWPGADRVAFHQPPGETTAMGWAVDPSGLYELLRRLSSDFPALPLVI
TENGAAFHDYADPEGNVNDPERIAYVRDHLAAVHRAIKDGSDVRGYFLWS
LLDNFEWAHGYSKRFGAVYVDYPTGTRIPKASARWYAEVARTGVLPT
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1gnx Chain B Residue 620 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gnx Cloning, Overexpression, Crystallization and Preliminary X-Ray Analysis of a Family 1 Beta--Glucosidase from Streptomyces
Resolution1.68 Å
Binding residue
(original residue number in PDB)		R204 F288
Binding residue
(residue number reindexed from 1)		R190 F274
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R89 H133 E178 C181 N307 Y309 E383
Catalytic site (residue number reindexed from 1) R75 H119 E164 C167 N293 Y295 E352
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:1gnx, PDBe:1gnx, PDBj:1gnx
PDBsum1gnx
PubMed
UniProtQ59976

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