Structure of PDB 7qi9 Chain B Binding Site BS01

Receptor Information
>7qi9 Chain B (length=290) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNEEETVGGVV
ETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVALPEVAPQP
GKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLLSEGVHLVK
GFYRRPLGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTRELLMSVPF
APGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLAAMSRQVIA
TLFSRCGVPDSGVGLTSEVSLVDRPPMNTLRGKLAAALEH
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain7qi9 Chain B Residue 401 [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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PDB7qi9 Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.2 in complex with UDP
Resolution1.23 Å
Binding residue
(original residue number in PDB)		P47 A48 L49 E51 S78 G110 K111 D131 S132 D133 Y223 R255
Binding residue
(residue number reindexed from 1)		P38 A39 L40 E42 S69 G101 K102 D122 S123 D124 Y204 R236
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.266: glucosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7qi9, PDBe:7qi9, PDBj:7qi9
PDBsum7qi9
PubMed
UniProtK5B7Z4

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