Structure of PDB 2c59 Chain A Binding Site BS02

Receptor Information
>2c59 Chain A (length=364) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTYKELEREQYWPSENLKISITGAGGFIASHIARRLKHEGHYVIASDWKK
NEHMTEDMFCDEFHLVDLRVMENCLKVTEGVDHVFNLAADMGGMGFIQSN
HSVIMYNNTMISFNMIEAARINGIKRFFYASSACIYPEFKQLETTNVSLK
ESDAWPAEPQDAYGLEKLATEELCKHYNKDFGIECRIGRFHNIYGPFGTW
KGGREKAPAAFCRKAQTSTDRFEMWGDGLQTRSFTFIDECVEGVLRLTKS
DFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPIHHIPGPEGVRGRNSDNN
LIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGT
QAPVQLGSLRAADG
Ligand information
Ligand IDGDC
InChIInChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
InChIKeyMVMSCBBUIHUTGJ-JGQUBWHWSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
FormulaC16 H25 N5 O16 P2
NameGUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE
ChEMBL
DrugBank
ZINC
PDB chain2c59 Chain A Residue 1378 [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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PDB2c59 Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		M102 G103 G104 M105 S143 C145 H202 N203 K217 A218 A221 F222 K225 W236 Q241 R243 M277 P300 E301 S356
Binding residue
(residue number reindexed from 1)		M91 G92 G93 M94 S132 C134 H191 N192 K206 A207 A210 F211 K214 W225 Q230 R232 M266 P289 E290 S345
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S143 A144 C145 Y174 K178 K217
Catalytic site (residue number reindexed from 1) S132 A133 C134 Y163 K167 K206
Enzyme Commision number 5.1.3.18: GDP-mannose 3,5-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016853 isomerase activity
GO:0047918 GDP-mannose 3,5-epimerase activity
GO:0051287 NAD binding
Biological Process
GO:0019853 L-ascorbic acid biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0009536 plastid

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2c59, PDBe:2c59, PDBj:2c59
PDBsum2c59
PubMed16366586
UniProtQ93VR3|GME_ARATH GDP-mannose 3,5-epimerase (Gene Name=At5g28840)

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