Structure of PDB 2bo7 Chain B Binding Site BS01

Receptor Information
>2bo7 Chain B (length=375) Species: 29549 (Rhodothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLVVFPFKHEHPEVLLHNVRVAAAHPRVHEVLCIGYERDQTYEAVERAAP
EISRATGTPVSVRLQERLGTLRPGKGDGMNTALRYFLEETQWERIHFYDA
DITSFGPDWITKAEEAADFGYGLVRHYFPRASTDAMITWMITRTGFALLW
PHTELSWIEQPLGGELLMRREVAAMLYEDERVRRRSDWGIDTLYTFVTVQ
QGVSIYECYIPEGKAHRLDLRTMLVECFAAIQSLQHEVVGQPAIHRQEHP
HRVPVHIAERVGYDVEATLHRLMQHWTPRQVELLELFTTPVREGLRTCQR
RPAFNFMDEMAWAATYHVLLEHFQPGDPDWEELLFKLWTTRVLNYTMTVA
LRGYDYAQQYLYRMLGRYRYQAALE
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2bo7 Chain B Residue 1383 [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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PDB2bo7 Structural dissection and high-throughput screening of mannosylglycerate synthase.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		P7 F8 K9 E11 Q66 G75 K76 D100 A101 D102 W189 H217 R218
Binding residue
(residue number reindexed from 1)		P6 F7 K8 E10 Q65 G74 K75 D99 A100 D101 W188 H216 R217
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.269: mannosylglycerate synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016758 hexosyltransferase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0102921 mannosylglycerate synthase activity
Biological Process
GO:0051479 mannosylglycerate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2bo7, PDBe:2bo7, PDBj:2bo7
PDBsum2bo7
PubMed15951819
UniProtQ9RFR0|MGS_RHOMR Mannosylglycerate synthase (Gene Name=mgs)

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