Structure of PDB 6jmg Chain A Binding Site BS01

Receptor Information
>6jmg Chain A (length=267) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALRIKVISMGNAEVGKSCIIKRYCEKRFVPKYQATIGIDYGVTKVHIKDR
EIKVNIFDMAGHPFFYEVRNEFYKDTQGVILVYDVGHKETFESLDGWLAE
MKQELGPQGNIDNIVFAVCANKIDSTKHRSVDESEGRLWSESKGFLYFET
SAQSGEGINEMFQAFYSAIVDLCDNGGKRPVSAINIGFTKEQADSIRRIR
NCKDSWDMLGVKPGATRDEVNKAYRKLAVLLHPDKCMAPGSEDAFKAVVN
ARTALLKNIKLEHHHHH
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 chain6jmg Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jmg Crystal structure of Rbj
Resolution2.701 Å
Binding residue
(original residue number in PDB)		E26 G28 K29 S30 C31 P43 Y45 A47 T48 G74 N134 K135 D137 S164 Q166
Binding residue
(residue number reindexed from 1)		E13 G15 K16 S17 C18 P30 Y32 A34 T35 G61 N121 K122 D124 S151 Q153
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0090385 phagosome-lysosome fusion
Cellular Component
GO:0005634 nucleus
GO:0005764 lysosome
GO:0005770 late endosome
GO:0045335 phagocytic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jmg, PDBe:6jmg, PDBj:6jmg
PDBsum6jmg
PubMed
UniProtQ7ZYF1|DJ27A_XENLA DnaJ homolog subfamily C member 27-A (Gene Name=dnajc27-a)

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