Structure of PDB 7tzb Chain A Binding Site BS01

Receptor Information
>7tzb Chain A (length=463) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNRNLLYEYAREGYSALPQLDIERFCACPEEAAHALELRKGELRSADLPA
IISTWQELRQLQEQIRSLEEEKAAVTEAVRALLANQDEVQQDPKYQGLRA
RGREIRKELVHLYPREAQLEEQFYLQALKLPNQTHPDVPVGDESQARVLH
MVGDKPVFSFQPRGHLEIGEKLDIIRQKRLSHVSGHRSYYLRGAGALLQH
GLVNFTFNKLLRRGFTPMTVPDLLRGAVFEGCGMTPNANPSQIYNIDPAR
FKDLNLAGTAEVGLAGYFMDHTVAFRDLPVRMVCSSTCYRAETNEPRGLY
RVHHFTKVEMFGVTGPGLEQSSQLLEEFLSLQMEILTELGLHFRVLDMPT
QELGLPAYRKFDIEAWMPGRGRFGEVTSASNCTDFQSRRLHIMFQTEAGE
LQFAHTVNATACAVPRLLIALLESNQQKDGSVLVPPALQSYLGTDRITAP
THVPLQYIGPNQP
Ligand information
Ligand IDSSA
InChIInChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
InChIKeyHQXFJGONGJPTLZ-YTMOPEAISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N
CACTVS 3.341N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CO)N)O)O)N
FormulaC13 H19 N7 O8 S
Name5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
ChEMBLCHEMBL1163070
DrugBankDB03869
ZINCZINC000013542770
PDB chain7tzb Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tzb Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		T299 R330 Y343 V345 F348 K350 E352 E418 V419 S421 T453 A456
Binding residue
(residue number reindexed from 1)		T259 R290 Y300 V302 F305 K307 E309 E375 V376 S378 T410 A413
Annotation score2
Enzymatic activity
Enzyme Commision number 6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
GO:0070158 mitochondrial seryl-tRNA aminoacylation
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:7tzb, PDBe:7tzb, PDBj:7tzb
PDBsum7tzb
PubMed36042193
UniProtQ9NP81|SYSM_HUMAN Serine--tRNA ligase, mitochondrial (Gene Name=SARS2)

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