Structure of PDB 3das Chain A Binding Site BS01

Receptor Information

>3das Chain A (length=334) Species: 1902 (Streptomyces coelicolor)

APPAKGSVKVLRTVATGLNSPWGLAPLPGGDLLVSSRDEATITRVDAKTG
RKTELGEVPGVSPSGEGGLLGIALSPDYASDHMVYAYFTSASDNRIVRML
YDEKKPSGEQLGAPDTVFRGIPKGVIHNGGRIAFGPDKMLYAGTGESGDT
GLSQDRKSLGGKILRMTPDGEPAPGNPFPGSPVYSYGHRNVQGLAWDDKQ
RLFASEFGQDTWDELNAIKPGDNYGWPEAEGKGGGSGFHDPVAQWSTDEA
SPSGIAYAEGSVWMAGLRGERLWRIPLKGTAAAADPQAFLEGEYGRLRTV
APAGGDKLWLVTSNTDGRGDAKGGDDRILELEVE

Ligand information

• Ligand ID: ARA
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
• InChIKey: SRBFZHDQGSBBOR-QMKXCQHVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-L-arabinopyranose;
  alpha-L-arabinose;
  L-arabinose;
  arabinose
• ChEMBL: CHEMBL505348
• ZINC: ZINC000001532575
• PDB chain: 3das Chain A Residue 348

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3das Structural and Enzymatic Characterization of a Thermostable PQQ-dependent Soluble Aldose Sugar Dehydrogenase
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): K212 K291 G292
• Binding residue (residue number reindexed from 1): K199 K278 G279
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H140 E159 R202 E243 K245 G247
• Catalytic site (residue number reindexed from 1): H127 E146 R189 E230 K232 G234

External links

• PDB: RCSB:3das, PDBe:3das, PDBj:3das
• PDBsum: 3das
• UniProt: Q9Z571