Structure of PDB 5jmv Chain A Binding Site BS01

Receptor Information
>5jmv Chain A (length=323) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDPMICLGLEGTAEKTGVGIVTSDGEVLFNKTIMYKPNPREAADHHAETF
PKLIKEAFEVVDKNEIDLIAFSQGPGLGPSLRVTATVARTLSLTLKKPII
GVNHCIAHIEIGKLTTEAEDPLTLYVSGGNTQVIAYVSKKYRVFGETLDI
AVGNCLDQFARYVNLPHPGGPYIEELARKGKKLVDLPYTVKGMDIAFSGL
LTAAMRAYDAGERLEDICYSLQEYAFSMLTEITERALAHTNKGEVMLVGG
VAANNRLREMLKAMCEGQNVDFYVPPKEFCGDNGAMIAWLGLLMHKNGRW
MSLDETKIIPNYRTDMVEVNWIK
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain5jmv 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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PDB5jmv Structural and functional characterization of KEOPS dimerization by Pcc1 and its role in t6A biosynthesis.
Resolution3.38647 Å
Binding residue
(original residue number in PDB)		K12 S129 G130 G155 L158 D159 G172 P173 G252 V253 A255 N256
Binding residue
(residue number reindexed from 1)		K15 S127 G128 G153 L156 D157 G170 P171 G250 V251 A253 N254
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.234: N(6)-L-threonylcarbamoyladenine synthase.
2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Biological Process
GO:0002949 tRNA threonylcarbamoyladenosine modification
Cellular Component
GO:0000408 EKC/KEOPS complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5jmv, PDBe:5jmv, PDBj:5jmv
PDBsum5jmv
PubMed27302132
UniProtQ58530|KAE1B_METJA Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein (Gene Name=MJ1130)

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