Structure of PDB 1ur0 Chain A Binding Site BS02

Receptor Information

>1ur0 Chain A (length=386) Species: 1402 (Bacillus licheniformis)

GLYVEKVSGLRKDFIKGVDVSSIIALEESGVAFYNESGKKQDIFKTLKEA
GVNYVRVRIWNDPYDANGNGYGGGNNDLEKAIQIGKRATANGMKLLADFH
YSDFWADPAKQKAPKAWANLNFEDKKTALYQYTKQSLKAMKAAGIDIGMV
QVGNETNGGLAGETDWAKMSQLFNAGSQAVRETDSNILVALHFTNPETSG
RYAWIAETLHRHHVDYDVFASSYYPFWHGTLKNLTSVLTSVADTYGKKVM
VAETSYTYTAEDGDGHGNTAPKNGQTLNNPVTVQGQANAVRDVIQAVSDV
GEAGIGVFYWEPAWIPVGPAHRLEKNKALWETYGSGWATSYAAEYDPEDA
GKWFGGSAVDNQALFDFKGRPLPSLHVFQYVDTGTP

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 1ur0 Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ur0 The Structure of Endo-Beta-1,4-Galactanase from Bacillus Licheniformis in Complex with Two Oligosaccharide Products
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): W347 D359
• Binding residue (residue number reindexed from 1): W337 D349
• Annotation score: 4

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

External links

• PDB: RCSB:1ur0, PDBe:1ur0, PDBj:1ur0
• PDBsum: 1ur0
• PubMed: 15312766
• UniProt: Q65CX5|GANB_BACLD Endo-beta-1,4-galactanase (Gene Name=ganB)