Structure of PDB 6nbj Chain B Binding Site BS04

Receptor Information
>6nbj Chain B (length=378) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKGYKVLAIETSCDDTCVSVLDRFSKSAAPNVLANLKDTLDSIDEGGIIP
TKAHIHHQARIGPLTERALIESNAREGIDLICVTRGPGMPGSLSGGLDFA
KGLAVAWNKPLIGVHHMLGHLLIPRMGTNGKVPQFPFVSLLVSGGHTTFV
LSRAIDDHEILCDTIDIAVGDSLDKCGRELGFKGTMIAREMEKFINQDIN
DQDFALKLEMPSPLKNSASKRNMLSFSFSAFITALRTNLTKLGKTEIQEL
PEREIRSIAYQVQESVFDHIINKLKHVLKSQPEKFKNVREFVCSGGVSSN
QRLRTKLETELGTLNSTSFFNFYYPPMDLCSDNSIMIGWAGIEIWESLRL
VSDLDICPIRQWPLNDLLSVDGWRTDQL
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 chain6nbj Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nbj Structure of Saccharomyces cerevisiae mitochondrial Qri7 in complex with AMP.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		D203 A217 R218 G325 N329 S360
Binding residue
(residue number reindexed from 1)		D174 A188 R189 G296 N300 S331
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.234: N(6)-L-threonylcarbamoyladenine synthase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0008252 nucleotidase activity
GO:0008270 zinc ion binding
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding
GO:0061711 N(6)-L-threonylcarbamoyladenine synthase activity
Biological Process
GO:0002949 tRNA threonylcarbamoyladenosine modification
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0070525 tRNA threonylcarbamoyladenosine metabolic process
GO:0072670 mitochondrial tRNA threonylcarbamoyladenosine modification
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6nbj, PDBe:6nbj, PDBj:6nbj
PDBsum6nbj
PubMed
UniProtP43122|QRI7_YEAST tRNA N6-adenosine threonylcarbamoyltransferase, mitochondrial (Gene Name=QRI7)

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