Structure of PDB 1hxq Chain B Binding Site BS03

Receptor Information
>1hxq Chain B (length=332) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQFNPVDHPHRRYNPLTGQWILVSPHRAKVLPAHDPDCFLCAGNVRVTGD
KNPDYTGTYVFTNDFAALMSDTPDAPESHDPLMRCQSARGTSRVICFSPD
HSKTLPELSVAALTEIVKTWQEQTAELGKTYPWVQVFENKGAAMGCSNPH
PHGQIWANSFLPNEAEREDRLQKEYFAEQKSPMLVDYVQRELADGSRTVV
ETEHWLAVVPYWAAWPFETLLLPKAHVLRITDLTDAQRSDLALALKKLTS
RYDNLFQCSFPYSMGWHGAPFNGEENQHWQLHAHFYPPLLRSATVRKFMV
GYEMLAETQRDLTAEQAAERLRAVSDIHFRES
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain1hxq 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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PDB1hxq The structure of nucleotidylated histidine-166 of galactose-1-phosphate uridylyltransferase provides insight into phosphoryl group transfer.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		F53 R60 V61 N77 D78 V108 H166 Q168
Binding residue
(residue number reindexed from 1)		F39 R46 V47 N63 D64 V94 H152 Q154
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) C38 C41 H101 N139 S147 H150 H152 Q154
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:1hxq, PDBe:1hxq, PDBj:1hxq
PDBsum1hxq
PubMed8794735
UniProtP09148|GAL7_ECOLI Galactose-1-phosphate uridylyltransferase (Gene Name=galT)

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