Structure of PDB 6kv9 Chain A Binding Site BS02

Receptor Information
>6kv9 Chain A (length=299) Species: 566461 (Streptomyces viridosporus ATCC 14672) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVLVTGAAGFIGSHLVTELRNSGRNVVAVDRRPLPDTGSLREIRGDLNS
LNLVDCLKNISTVFHLAALPGVRPSWTQFPEYLRCNVLATQRLMEACVQA
GVERVVVASSSSVYGGADGVMSEDDLPRPLSPYGVTKLAAERLALAFAAR
GDAELSVGALRFFTVYGPGQRPDMFISRLIRATLRGEPVEIYGDGTQLRD
FTHVSDVVRALMLTASVRDRGSAVLNIGTGSAVSVNEVVSMTAELTGLRP
CTAYGSARIGDVRSTTADVRQAQSVLGFTARTGLREGLATQIEWTRRSL
Ligand information
Ligand IDUGA
InChIInChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
InChIKeyHDYANYHVCAPMJV-LXQIFKJMSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O
CACTVS 3.341O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O
FormulaC15 H22 N2 O18 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;
UDP-GLUCURONIC ACID
ChEMBLCHEMBL228057
DrugBankDB03041
ZINCZINC000008215691
PDB chain6kv9 Chain A Residue 402 [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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PDB6kv9 Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		P91 R94 S131 S132 Y154 T185 R192 M195 F196 R199 E211 I212 Y213 Q218 R220 V256 D282
Binding residue
(residue number reindexed from 1)		P70 R73 S110 S111 Y133 T164 R171 M174 F175 R178 E190 I191 Y192 Q197 R199 V235 D261
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S131 S132 S133 Y154 K158
Catalytic site (residue number reindexed from 1) S110 S111 S112 Y133 K137
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6kv9, PDBe:6kv9, PDBj:6kv9
PDBsum6kv9
PubMed31653344
UniProtA0A003

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