Structure of PDB 6h45 Chain A Binding Site BS01

Receptor Information
>6h45 Chain A (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPRIMRLVAECSRSRARAGELWLPHGTVATPVFMPVGTQATMKGITTEQ
LDALGCRICLGNTYHLGLRPGPELIQKANGLHGFMNWPHNLLTDSGGFQM
VSLVSLSEVTEEGVRFRSPYDGNETLLSPEKSVQIQNALGSDIIMQLDDV
VSSTVTGPRVEEAMYRSIRWLDRCIAAHQRPDKQNLFAIIQGGLDADLRA
TCLEEMTKRDVPGFAIGGLSGGESKSQFWRMVALSTSRLPKDKPRYLMGV
GYATDLVVCVALGCDMFDCVFPTRTARFGSALVPTGNLQLRKKVFEKDFG
PIDPECTCPTCQKHSRAFLHALLHSDNTAALHHLTVHNIAYQLQLMSAVR
TSIVEKRFPDFVRDFMGAMYGDPTLCPTWATDALASVGITLG
Ligand information
Ligand IDQEI
InChIInChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1
InChIKeyWYROLENTHWJFLR-ACLDMZEESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O
CACTVS 3.341NC1=Nc2[nH]cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)CNC3C=CC(C3O)O
CACTVS 3.341NC1=Nc2[nH]cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1
ACDLabs 10.04O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O
FormulaC12 H15 N5 O3
Name2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
queuine
ChEMBL
DrugBankDB14732
ZINCZINC000006622451
PDB chain6h45 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h45 Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F109 D159 V161 S164 G229 L230 G232 M259
Binding residue
(residue number reindexed from 1)		F98 D148 V150 S153 G218 L219 G221 M248
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.2.64: tRNA-guanosine(34) queuine transglycosylase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008479 tRNA-guanosine(34) queuine transglycosylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0101030 tRNA-guanine transglycosylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0032473 cytoplasmic side of mitochondrial outer membrane
GO:0032991 protein-containing complex
GO:0120507 tRNA-guanine transglycosylase complex
GO:1990234 transferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h45, PDBe:6h45, PDBj:6h45
PDBsum6h45
PubMed30149595
UniProtQ9BXR0|TGT_HUMAN Queuine tRNA-ribosyltransferase catalytic subunit 1 (Gene Name=QTRT1)

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