Structure of PDB 6ktk Chain D Binding Site BS02

Receptor Information

>6ktk Chain D (length=368) Species: 1197861 (Paracoccus laeviglucosivorans)

KALGVALIGTGFMGKCHAMAWRNVATAFGGLPPRLEVLADMPADKAHSLA
SSFGFARGTADWREAVSDPAVDVVSITTPNGLHREMAEAALAAGKHVWLE
KPMALSVEDAQAMEAAARASDRRTIIGYNYTRSPAFRAAVDLIAEGAIGR
PIHFRGMYDEDYMADPDLPWSWALTRKDGGLGALGDLGCHLVSVMVSLMG
PVARVYAQADTVITDRPHQGGTARVENEDQAQALIRFASGTSGEFSCSRV
ARGYRCRLAWEVQGTEGTLRFDQERMNELWLYQPGRPEIDGFRRILTGPA
QPGFAAFCPGGGHNFGFNEQKVVEAEMLRQAIAGRGKAWPDFTDGLTIER
VIHGMATSAQTGQPVNFL

Ligand information

• Ligand ID: 8S0
• InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1
• InChIKey: PHOQVHQSTUBQQK-KLVWXMOXSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O
  CACTVS 3.385: OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 2.0.6: C(C1C(C(C(C(=O)O1)O)O)O)O
  CACTVS 3.385: OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O
• Formula: C6 H10 O6
• Name: L-glucono-1,5-lactone;
  (3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
• ChEMBL: CHEMBL3039333
• ZINC: ZINC000001532566
• PDB chain: 6ktk Chain D Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ktk Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): K106 Y135 Y163 E165 Y167 D191 H195
• Binding residue (residue number reindexed from 1): K101 Y130 Y158 E160 Y162 D186 H190
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding

External links

• PDB: RCSB:6ktk, PDBe:6ktk, PDBj:6ktk
• PDBsum: 6ktk
• PubMed: 31842701
• UniProt: K7ZP76