Structure of PDB 7do7 Chain A Binding Site BS02

Receptor Information

>7do7 Chain A (length=256) Species: 322710 (Azotobacter vinelandii DJ)

SLLIDKTVIVTGASRGIGRAAARECARQGARVVIGHSGSDEGRAGALSLA
EEIAAFGGTAIAVGADAADLDSGEKLVAAAVEAFGSVDVLVNNAGICPFH
SFLDMPRELYLKTVGTNLNGAYFTVQAAARRMKEQGRGGAIIAVSSISAL
VGGAMQTHYTPTKAGLLSLMQSCAIALGPYGIRCNAVLPGTIATDINKED
LSDLEKRERMTSRVPLGRLGEPDDLAGPIVFLASDMARYVTGASLLVDGG
LFVNLQ

Ligand information

• Ligand ID: RM4
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1
• InChIKey: SHZGCJCMOBCMKK-YJRYQGEOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: C[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: beta-L-rhamnopyranose;
  beta-L-rhamnose;
  6-deoxy-beta-L-mannopyranose;
  L-rhamnose;
  rhamnose
• ZINC: ZINC000003861281
• PDB chain: 7do7 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7do7 Crystal structure of l-rhamnose 1-dehydrogenase involved in the nonphosphorylative pathway of l-rhamnose metabolism in bacteria.
• Resolution: 1.57 Å
• Binding residue (original residue number in PDB): F99 S146 S148 Q156 Y159 N197
• Binding residue (residue number reindexed from 1): F99 S146 S148 Q156 Y159 N197
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G16 S146 Y159
• Catalytic site (residue number reindexed from 1): G16 S146 Y159

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor

External links

• PDB: RCSB:7do7, PDBe:7do7, PDBj:7do7
• PDBsum: 7do7
• PubMed: 33482017
• UniProt: C1DMX5