Structure of PDB 1ur4 Chain A Binding Site BS02

Receptor Information
>1ur4 Chain A (length=386) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLYVEKVSGLRKDFIKGVDVSSIIALEESGVAFYNESGKKQDIFKTLKEA
GVNYVRVRIWNDPYDANGNGYGGGNNDLEKAIQIGKRATANGMKLLADFH
YSDFWADPAKQKAPKAWANLNFEDKKTALYQYTKQSLKAMKAAGIDIGMV
QVGNETNGGLAGETDWAKMSQLFNAGSQAVRETDSNILVALHFTNPETSG
RYAWIAETLHRHHVDYDVFASSYYPFWHGTLKNLTSVLTSVADTYGKKVM
VAETSYTYTAEDGDGHGNTAPKNGQTLNNPVTVQGQANAVRDVIQAVSDV
GEAGIGVFYWEPAWIPVGPAHRLEKNKALWETYGSGWATSYAAEYDPEDA
GKWFGGSAVDNQALFDFKGRPLPSLHVFQYVDTGTP
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain1ur4 Chain C 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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PDB1ur4 The Structure of Endo-Beta-1,4-Galactanase from Bacillus Licheniformis in Complex with Two Oligosaccharide Products
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H276 W347 D359
Binding residue
(residue number reindexed from 1)		H266 W337 D349
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R66 E165 E263
Catalytic site (residue number reindexed from 1) R56 E155 E253
Enzyme Commision number 3.2.1.-
3.2.1.89: arabinogalactan endo-beta-1,4-galactanase.
Gene Ontology
Molecular Function
GO:0015926 glucosidase activity

View graph for
Molecular Function
External links
PDB RCSB:1ur4, PDBe:1ur4, PDBj:1ur4
PDBsum1ur4
PubMed15312766
UniProtQ65CX5|GANB_BACLD Endo-beta-1,4-galactanase (Gene Name=ganB)

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