Structure of PDB 4xul Chain A Binding Site BS03

Receptor Information
>4xul Chain A (length=365) Species: 1094892 (Megavirus chiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHSPGSLIYTYKLEKYVRTKIFPKILLIPDKNRYIIKGSFRRRVPFVTDI
DVVNNVYPEISRENIYDEIIKLVNNIQSDPNIILAYLSCGTDERFKISTG
SSKELSNIQSLLPDNEKNEFQLVLNKYYNDQQKKLFFLNELIWDHYKLRW
KPEDVLIGSMNLANNVSVNFRETVENNSTILLQYYVKLGSYPVGIDVVIN
YQKIDLTPAYKNAALYQLQLANYSREYYYMLFPLRYYFKNNQDISQRLEN
IIEKKYGLYKQLMVRIDDYHTLYKSGNLKIDMATNIVIGILRDIEKLPGF
ESDTIYQIKKVATNNSPSIKIEEWDILLKVLYQEINTAVNNKSRKYFYRY
IAMVPPQDRSKNYIS
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain4xul Chain A Residue 404 [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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PDB4xul Crystal structure of M. chilensis Mg662 protein complexed with GTP
Resolution2.26 Å
Binding residue
(original residue number in PDB)		S51 T60 D61 D63 Q229 L232 A233 E238 Y241 K272 V276
Binding residue
(residue number reindexed from 1)		S39 T48 D49 D51 Q217 L220 A221 E226 Y229 K260 V264
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4xul, PDBe:4xul, PDBj:4xul
PDBsum4xul
PubMed
UniProtG5CQN7

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