Structure of PDB 6imv Chain A Binding Site BS01

Receptor Information

>6imv Chain A (length=494) Species: 28572 (Talaromyces funiculosus)

EPSCRFAHQYTQEQVLQNPSKFINDVLFWEGKFHQNNISYNSGNGMSYDG
TNIDWVTGEGTVKHPFSAASKESLQVMLYAHAIAGSADAARFLSPNNPSA
APGIAASIMDTKLQTYLRFNETYPGFGGFLPWFTSSSQDLTPTWDWNNRV
PGLDNGELLWAVYAFIQAAENTSNKSFIDLAKKWQTWMDYTKTTAAHIFY
QGEGKVCAVTDIKNQSLPVYHPEQTYACEGTSYLNDPYEGELFTWWLQFF
GGLSDADIEALWEYKRPQLVSVDYHIGNVGPITVQKGYWFSSHETWKVLE
MPYYDIDIIRRVFQNAERARTCNSVVTQVPGMFASINNVTDPATGDVVGY
ISNAGIPSIANQTIQELDVITPYSVFPTVLFDKGVGMAWWRNMAIGKKMQ
NIYGSTESTRRDGTGVSALLTWDSKVSTVNAILGGVSGLVSQKMKAENIY
NTFVERIEAEYSRVFKNLKGEHVPFCLPQETVPDTGLVDFTTCN

Ligand information

• Ligand ID: GLC
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6imv Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6imv Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D259 E262 Y311 H316
• Binding residue (residue number reindexed from 1): D236 E239 Y288 H293
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.71: glucan endo-1,2-beta-glucosidase.

Gene Ontology

Molecular Function

• GO:0033913 glucan endo-1,2-beta-glucosidase activity

External links

• PDB: RCSB:6imv, PDBe:6imv, PDBj:6imv
• PDBsum: 6imv
• PubMed: 30926603
• UniProt: A0A4V8H012