Structure of PDB 3wuh Chain B Binding Site BS02

Receptor Information
>3wuh Chain B (length=350) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGYKVLAIETSCDDTCVSVLDRFSKSAAPNVLANLKDTLKAHIHHQARIG
PLTERALIESNAREGIDLICVTRGPGMPGSLSGGLDFAKGLAVAWNKPLI
GVHHMLGHLLIPRMGTNGKVPQFPFVSLLVSGGHTTFVLSRAIDDHEILC
DTIDIAVGDSLDKCGRELGFKGTMIAREMEKFINQDINDQDFALKLEMPS
KRNMLSFSFSAFITALRTNLTKLGKTEIQELPEREIRSIAYQVQESVFDH
IINKLKHVLKSQPEKFKNVREFVCSGGVSSNQRLRTKLETELFNFYYPPM
DLCSDNSIMIGWAGIEIWESLRLVSDLDICPIRQWPLNDLLSVDGWRTDQ
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 chain3wuh 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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PDB3wuh Structure of Saccharomyces cerevisiae mitochondrial Qri7 in complex with AMP
Resolution2.937 Å
Binding residue
(original residue number in PDB)		S172 G173 D203 M215 A217 R218 E221 G325 N329
Binding residue
(residue number reindexed from 1)		S131 G132 D162 M174 A176 R177 E180 G277 N281
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:3wuh, PDBe:3wuh, PDBj:3wuh
PDBsum3wuh
PubMed25084372
UniProtP43122|QRI7_YEAST tRNA N6-adenosine threonylcarbamoyltransferase, mitochondrial (Gene Name=QRI7)

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