Structure of PDB 2zu8 Chain B Binding Site BS01

Receptor Information
>2zu8 Chain B (length=369) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLLEAPVYKEIFGAVTIHEVQKVIKMDTTISNIPREKIYDLLGKMAVIVP
MKNEKLHLVDGVLKAIPHKCPIIIVSNSKREGPNRYKLEVDLIRHFYNLT
HSKIIMIHQKDPGLAKAFKEVGYTDILDENGMIRSGKGEGMLVGLLLAKA
IGAEYVGFVDADNYIPGAVNEYVKDYAAGFLMSESEYTMVRLHWRVSEIT
NHYLNLLVSEHTAFETTIMVTGNAGEHAMTMKLAEILPFSTGYSIEPYEI
VYILERFGKWENVEEFKDVFDQGIEIFQIETLNPHFHEDKGKEHVKEMLL
LSLATIYHSKLATDNLRKRILKDLRDHGILGENEEPPKPLVMRPIKEIPI
KEWMDIVEGNSETLLRFEL
Ligand information
Ligand IDGDD
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-/m1/s1
InChIKeyMVMSCBBUIHUTGJ-GDJBGNAASA-N
SMILES
SoftwareSMILES
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
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(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
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)[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-ALPHA-D-MANNOSE
ChEMBL
DrugBank
ZINCZINC000008215581
PDB chain2zu8 Chain B Residue 395 [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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PDB2zu8 Crystal structure of mannosyl-3-phosphoglycerate synthase from Pyrococcus horikoshii
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P58 M59 K60 E62 V83 N85 Q117 G144 K145 D168 A169 D170 W202 N248 G250 Y268 H312 H319 M323
Binding residue
(residue number reindexed from 1)		P50 M51 K52 E54 V75 N77 Q109 G136 K137 D160 A161 D162 W194 N223 G225 Y243 H287 H294 M298
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.217: mannosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0050504 mannosyl-3-phosphoglycerate synthase activity
Biological Process
GO:0051479 mannosylglycerate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zu8, PDBe:2zu8, PDBj:2zu8
PDBsum2zu8
PubMed
UniProtO58689|MPGS_PYRHO Mannosyl-3-phosphoglycerate synthase (Gene Name=mngA)

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