Structure of PDB 5eqd Chain B Binding Site BS01

Receptor Information
>5eqd Chain B (length=391) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNFDLFVVGSGFFGLTIAERAATQLGKRVLVIERRPHIGGNAYSEPEPET
GIEVHKYGAHLFHTSNKRVWDYVRQFTDFTGYQHRVFAMHNGQAYQFPMG
LGLVSQFFGRYFSPDEARALIAEQASEIDTKDAKNFEEKAISLVGRPLYE
AFIKHYTAKQWQTDPKDLPASNITRLPVRYTFDNRYFNDTYEGLPVEGYT
KWLENMAADERIEVRLDTDWFDVRDDLRAANPDAPVVYTGPLDRYFDYAE
GRLGWRTLDFELEVLETGDFQGTPVMNYNDLDVPYTRIHEFRHFHPERTY
PTDKTVIMREYSRFADNDDEPYYPINTEADRAVLAAYRARAKAETASAKV
LFGGRLGTYQYLDMHMAIASALSMFDNVLAPHLSEGASLVT
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 chain5eqd Chain B Residue 501 [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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PDB5eqd Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis
Resolution1.83 Å
Binding residue
(original residue number in PDB)		F111 I167 Y170 T171 W175 R189 L190 Y200 N291 R301 Y337 Y375
Binding residue
(residue number reindexed from 1)		F97 I153 Y156 T157 W161 R175 L176 Y186 N277 R287 Y323 Y361
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R189 R193 R270 R301 E324 Y375 D377
Catalytic site (residue number reindexed from 1) R175 R179 R256 R287 E310 Y361 D363
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:0046872 metal ion binding
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:5eqd, PDBe:5eqd, PDBj:5eqd
PDBsum5eqd
PubMed
UniProtA0R629

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