Structure of PDB 4pex Chain B Binding Site BS01

Receptor Information
>4pex Chain B (length=551) Species: 862751 (Streptomyces sp. SirexAA-E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQEVVGGGDLGPNVLVFDPSTPDIQGKVDEVFRKQESNQFGTDRYALMFK
PGTYNDINAQIGFYTSIAGLGLNPDDTTFNGDVTVDAGWFDGNATQNFWR
SAENLALNPVNGTNRWAVSQAAPFRRMHVKGGLNLAPDGYGWASGGYIAD
SKIDGEVGPYSQQQWYTRDSSVGGWGNGVWNMTFSGVEGAPAQSFPEPPY
TTLETTPVSREKPFLYLDGDDYKVFVPAKRTNARGTSWGNGTPEGESLPL
DQFYVVKPGATAETINAAVDQGLHLLFTPGVYHVDQPIEIDRANTVALGL
GLATIIPDNGVTALKVGDVDGVKVAGLLVDAGPVNSETLVEVGSDGASGD
HAANPTSLQDVFVRIGGAGPGKATTSIVVNSNDTIIDHTWVWRADHGEGV
GWETNRADYGVHVKGDNVLATGLFVEHFNKYDVQWSGENGKTIFYQNAKA
YDAPDQAAIQNGDIKGYAAYKVDDSVTTHEGWGMGSYCYFNVNPDIRQQH
GFQAPVKPGVKFHDLLVVSLGGKGQYEHVINDIGDPTSGDTTIPSQVVSF
P
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 chain4pex Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pex Active site and laminarin binding in glycoside hydrolase family 55.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		T149 Q150 W446 D449 H450 E480
Binding residue
(residue number reindexed from 1)		T95 Q96 W392 D395 H396 E426
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.58: glucan 1,3-beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004338 glucan exo-1,3-beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0009251 glucan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pex, PDBe:4pex, PDBj:4pex
PDBsum4pex
PubMed25752603
UniProtG2NFJ9|LAM55_STREK Exo-beta-1,3-glucanase (Gene Name=SACTE_4363)

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