Structure of PDB 1hxp Chain B Binding Site BS05

Receptor Information
>1hxp Chain B (length=329) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQFNPVDHPHRRYNPLTGQWILVSPHRLPAHDPDCFLCAGNVRVTGDKNP
DYTGTYVFTNDFAALMSDTPDAPESHDPLMRCQSARGTSRVICFSPDHSK
TLPELSVAALTEIVKTWQEQTAELGKTYPWVQVFENKGAAMGCSNPHPHG
QIWANSFLPNEAEREDRLQKEYFAEQKSPMLVDYVQRELADGSRTVVETE
HWLAVVPYWAAWPFETLLLPKAHVLRITDLTDAQRSDLALALKKLTSRYD
NLFQCSFPYSMGWHGAPFNGEENQHWQLHAHFYPPLLRSATVRKFMVGYE
MLAETQRDLTAEQAAERLRAVSDIHFRES
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 chain1hxp Chain B Residue 352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hxp Three-dimensional structure of galactose-1-phosphate uridylyltransferase from Escherichia coli at 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R60 V61 F75 N77 D78 S161 N162
Binding residue
(residue number reindexed from 1)		R43 V44 F58 N60 D61 S144 N145
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C52 C55 H115 N153 S161 H164 H166 Q168
Catalytic site (residue number reindexed from 1) C35 C38 H98 N136 S144 H147 H149 Q151
Enzyme Commision number 2.7.7.12: UDP-glucose--hexose-1-phosphate uridylyltransferase.
Gene Ontology
Molecular Function
GO:0004335 galactokinase activity
GO:0008108 UDP-glucose:hexose-1-phosphate uridylyltransferase activity
GO:0008198 ferrous iron binding
GO:0008270 zinc ion binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006012 galactose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hxp, PDBe:1hxp, PDBj:1hxp
PDBsum1hxp
PubMed7669762
UniProtP09148|GAL7_ECOLI Galactose-1-phosphate uridylyltransferase (Gene Name=galT)

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