Structure of PDB 5eqf Chain B Binding Site BS01

Receptor Information
>5eqf Chain B (length=385) Species: 257309 (Corynebacterium diphtheriae NCTC 13129) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDFDLIVVGSGLFGLTVAERAASQLGKKVLIVEKRSHLGGNAYSEAEPET
GIEIHKYGAHLFHTSNKRVWDYVNQFTAFTGYQHRVFAMHNGTAYQFPMG
LGLINQFFGRYYTPDEARELIKEQSAEIDSKDATNLEEKAISLIGRPLYE
AFIRDYTAKQWQTDPKELPAGNITRLPVRYNFDNRYFNDTYEGLPVDGYA
QWLSNMADHENIEVRLDTDWFEVREDLRAQNPEAPVVYTGPLDRYFDYSE
GHLGWRTLDFETEVLNTGDFQGTPVMNYNDAEFPYTRIHEFRHFHPERED
RHPKDKTVIMKEYSRFAEEGDEPYYPINTPSDREMLFKYRELADAETESG
KVYFGGRLGTYQYLDMHMAIASALSMFDNKLVDAL
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 chain5eqf 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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PDB5eqf Conformational Control of UDP-Galactopyranose Mutase Inhibition.
Resolution2.145 Å
Binding residue
(original residue number in PDB)		F98 I154 Y157 T158 W162 N173 I174 R176 L177 Y187 N278 R288 Y326 Y364
Binding residue
(residue number reindexed from 1)		F97 I153 Y156 T157 W161 N172 I173 R175 L176 Y186 N277 R287 Y325 Y363
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R176 R180 R257 R288 E313 Y364 D366
Catalytic site (residue number reindexed from 1) R175 R179 R256 R287 E312 Y363 D365
Enzyme Commision number 5.4.99.9: UDP-galactopyranose mutase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008767 UDP-galactopyranose mutase activity
GO:0016853 isomerase activity
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5eqf, PDBe:5eqf, PDBj:5eqf
PDBsum5eqf
PubMed28608671
UniProtQ6NER4

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