Structure of PDB 5upm Chain A Binding Site BS07

Receptor Information
>5upm Chain A (length=753) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHAVSVGKGSYATEFPEIDFGGINDPGFRDQQGEPPATIYRSDRVTGPMQ
TNSWWGSLAVDRFSMNQYPHPFSVRHRAEGLHVFYDAPHNMVVHENREAG
TWHIHGAIGTDFTIKHSGTANFEQAVVDDYNDWYVRGLLENGAHQMAITY
GVGSPYIFVEYEDGSAVLDFDIAPDVWEMNGHVIGFSTHDHKHYAAFAPP
GQNWSGIGSKTLTNNADYIAIAKLPEKDGNMLAKFEQYAYSVVRDAVADW
TYDEATGTVTTTFEVTTEAKVQGAPDGTIFALYPHQYRHLASSSENQLLQ
NYQYEIIRGTMIGLEGKRFTTELTYPGVLPSLPDLGDYDRERLIGYLHDA
TSDYPTGSDTYELGKYIGKLATLAPIADQMGEYELAEQFRGELKDILEDW
LQATNASGQLKGKNLFYYNENWGTILGYHAAHSSATRINDHHFHYGYFVK
AAAEIARADQEWAKSENWGGMIDLLIRDFMADRDDDLFPYLRMFDPYSGN
SWADGLATFDAGNNQQSSSEAMHAWTNVILWAEATGNKALRDRAIYLYTT
EMSAINEYFFDVHQEIFPEEYGPEIVTINWGGKMDHATWWNSGKVEKYAI
NWLPFHGGSLYLGHHPDYVDRAYEELRRDIGSTDWNLWSNLVWMYRAFTN
PDDALQQMEASIDDYGLFDPGNEKIIERGSTKAQTYHWIHNLAELGRVDP
TVTANHPIYAVFNKNGNRTYIVYNFSDSPITVQFSDGHSIQVEPHSFNIG
NGD
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 chain5upm Chain D Residue 2 [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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PDB5upm The quaternary structure of beta-1,3-glucan contributes to its recognition and hydrolysis by a multimodular family 81 glycoside hydrolase
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W606 D611 T614 W615
Binding residue
(residue number reindexed from 1)		W580 D585 T588 W589
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0052861 endo-1,3(4)-beta-glucanase activity

View graph for
Molecular Function
External links
PDB RCSB:5upm, PDBe:5upm, PDBj:5upm
PDBsum5upm
PubMed
UniProtQ9KG76|ENG1_HALH5 Glucan endo-1,3-beta-D-glucosidase (Gene Name=BH0236)

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