Structure of PDB 2udp Chain B Binding Site BS02

Receptor Information
>2udp Chain B (length=338) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGK
HPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNN
VNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYG
KSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNL
MPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKL
ANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYW
ADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD
Ligand information
Ligand IDUPP
InChIInChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
InChIKeyZHUWBKDWWGKIEN-FMKGYKFTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
ACDLabs 10.04O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O
FormulaC15 H18 N2 O12 P2
NamePHENYL-URIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL1199734
DrugBankDB02790
ZINCZINC000016052541
PDB chain2udp Chain B Residue 341 [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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PDB2udp High-resolution X-ray structure of UDP-galactose 4-epimerase complexed with UDP-phenol.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N179 N198 N199 L200 A216 I217 F218 R231 Y233 R292 D295
Binding residue
(residue number reindexed from 1)		N179 N198 N199 L200 A216 I217 F218 R231 Y233 R292 D295
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S124 A125 T126 Y149 K153 M189
Catalytic site (residue number reindexed from 1) S124 A125 T126 Y149 K153 M189
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0003978 UDP-glucose 4-epimerase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0042802 identical protein binding
GO:0070403 NAD+ binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006012 galactose metabolic process
GO:0009242 colanic acid biosynthetic process
GO:0033499 galactose catabolic process via UDP-galactose
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2udp, PDBe:2udp, PDBj:2udp
PDBsum2udp
PubMed8931134
UniProtP09147|GALE_ECOLI UDP-glucose 4-epimerase (Gene Name=galE)

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