Structure of PDB 7xpr Chain B Binding Site BS01

Receptor Information
>7xpr Chain B (length=371) Species: 531310 (Marinactinospora thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDISTAVVVTTISDGGFLDRLAPALRDAGARLIVIPDRNTGPALFAACER
HRRLGLDVVCPSVAEQQDLLERLAVPDLIPYHSDNRRNVGYLMAWMEGFD
VIVSMDDDNLPTTDDFVERHQVVCQGPRTQPVTASSDGWFNNCALLEVEP
TEVFPRGFPFHARPAHAQARTSVCERPADVRINAGLWLGDPDVDAITRLA
VRPNALAHSGGSVVLAEGTWCPVNSQNTAVHRDALPAYYFLRMGQPVDGV
PMERFGDIFSGYFVQVCAQHLGHAVRFGDPVVEHPRNEHDLLDDLHKEVP
AVRLLDDILDHLRDHPLEGGDYLETYESLSYALQEIAERVNGRAWSPDAR
AFLHRSAHLMRSWTGALRTVA
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 chain7xpr Chain B Residue 401 [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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PDB7xpr Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T13 I15 D40 S86 D87 R90 D109 D110 N290 H292
Binding residue
(residue number reindexed from 1)		T10 I12 D37 S83 D84 R87 D106 D107 N287 H289
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7xpr, PDBe:7xpr, PDBj:7xpr
PDBsum7xpr
PubMed36642179
UniProtG8HX37

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