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Structure of PDB 5er9 Chain A Binding Site BS01

Receptor Information
>5er9 Chain A (length=394) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGNFDLFVVGSGFFGLTIAERAATQLGKRVLVIERRPHIGGNAYSEPEP
ETGIEVHKYGAHLFHTSNKRVWDYVRQFTDFTGYQHRVFAMHNGQAYQFP
MGLGLVSQFFGRYFSPDEARALIAEQASEIDTKDAKNFEEKAISLVGRPL
YEAFIKHYTAKQWQTDPKDLPASNITRLPVRYTFDNRYFNDTYEGLPVEG
YTKWLENMAADERIEVRLDTDWFDVRDDLRAANPDAPVVYTGPLDRYFDY
AEGRLGWRTLDFELEVLETGDFQGTPVMNYNDLDVPYTRIHEFRHFHPER
TYPTDKTVIMREYSRFADNDDEPYYPINTEADRAVLAAYRARAKAETASA
KVLFGGRLGTYQYLDMHMAIASALSMFDNVLAPHLSEGASLVTE
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 chain5er9 Chain A 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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PDB5er9 Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis
Resolution1.689 Å
Binding residue
(original residue number in PDB)		F111 I167 Y170 T171 Q174 Y200 N291 R301 Y337
Binding residue
(residue number reindexed from 1)		F99 I155 Y158 T159 Q162 Y188 N279 R289 Y325
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) R177 R181 R258 R289 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:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links

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