Structure of PDB 4lis Chain C Binding Site BS01

Receptor Information
>4lis Chain C (length=364) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSGSVLVTGGTGYIGSFTTLALLEAGYKVVVADNLYNSSAEALNRIELIS
GKKAEFAQLDVTDEAAFDKVFEAHPDIDSVIHFAALKAVGESGEKPLDYY
HVNVYGTICLLRSMVRHNVTNIVFSSSATVYGDATRFPDMIPIPEHCPLG
PTNPYGNTKFAIELAITDVINAQRNNAKKAGNETEAAKWNGALLRYFNPA
GAHPSGIMGEDPQGVPYNLLPLLAQVATGKREKLLVFGDDYASHDGTAIR
DYIHILDLADGHLKALNYLRANNPGVRAWNLGTGRGSTVYEMIRAFSKAV
GRDLPYEVAPRRAGDVLNLTSNPTRANTELGWKAQRTLEQACEDLWLWTK
NNPQGYRQQPPAEL
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 chain4lis Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lis Elucidation of Substrate Specificity in Aspergillus nidulans UDP-Galactose-4-Epimerase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N199 N219 L220 L236 V237 F238 R251 V290 R313 D316
Binding residue
(residue number reindexed from 1)		N198 N218 L219 L235 V236 F237 R250 V289 R312 D315
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S128 A129 T130 Y156 K160
Catalytic site (residue number reindexed from 1) S127 A128 T129 Y155 K159
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003978 UDP-glucose 4-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006012 galactose metabolic 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:4lis, PDBe:4lis, PDBj:4lis
PDBsum4lis
PubMed24116166
UniProtC8VAU8

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