Structure of PDB 7xpu Chain A Binding Site BS01

Receptor Information
>7xpu Chain A (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
VRPNALAHSGGSVVLAEGTWCPVNAQNTAVHRDALPAYYFLRMGQPVDGV
PMERFGDIFSGYFVQVCAQHLGHAVRFGDPVVEHPRNEHDLLDDLHKEVP
AVRLLDDILDHLRDHPLEGGDYLETYESLSYALQEIAERVNGRAWSPDAR
AFLHRSAHLMRSWTGALRTVA
Ligand information
Ligand IDGFB
InChIInChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
InChIKeyLQEBEXMHBLQMDB-JGQUBWHWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)N
OpenEye OEToolkits 1.9.2CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O
OpenEye OEToolkits 1.9.2C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O
CACTVS 3.385C[C@@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.385C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O
FormulaC16 H25 N5 O15 P2
NameGUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
ChEMBLCHEMBL1229250
DrugBankDB18689
ZINCZINC000008551145
PDB chain7xpu Chain A 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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PDB7xpu Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T13 T14 I15 D40 N42 S86 D87 D109 D110 D111 R159 Q229 R257 D260 H287 R289 N290 H292
Binding residue
(residue number reindexed from 1)		T10 T11 I12 D37 N39 S83 D84 D106 D107 D108 R156 Q226 R254 D257 H284 R286 N287 H289
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7xpu, PDBe:7xpu, PDBj:7xpu
PDBsum7xpu
PubMed36642179
UniProtG8HX37

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