Structure of PDB 7nu0 Chain A Binding Site BS02

Receptor Information
>7nu0 Chain A (length=865) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQEHYQPAAIEPAAQKKWDDARISNVSEDASKPKYYCLSMFPYPSGKLHM
GHVRNYTIGDVLSRFKLLNGFNVMQPMGWDAFGMPAENAAMKNNVAPAAW
TYDNIEYMKTQLKSLGFAVDWEREVATCKPEYYRWEQWLFTKLFEKGIVY
RKNGTVNWDPVDQTVLANEQVIDGRGWRSGALIEKREIPMYYFKITDYAE
ELLNDLDKLEHWPEQVKTMQRNWIGKSRGMTVRFAVSDDSKQGLEGDYAK
FLQVYTTRPDTLMGATYVAVAAEHPLATAAAADKPELQAFIAECKMEKKG
VPTGRYVVNPLNGDKLEVWIANYVLWGYGDGAVMAVPAHDERDFEFAAKY
NLPKKQVIAVGDNAFDANRWQEWYGDKENGVLVNSGDLDGLDFQTAFDAV
AAKLQSQGAGEPKTQYRLRDWGISRQRYWGCPIPIVHCEKCGNVPVPADQ
LPVVLPENVVPDGMGSPLAKMPEFYETSCPCCGGAAKRETDTMDTFIESS
WYFFRYMSPKFSDGMVSAESAKYWGAVDQYIGGIEHAIAHLLYARFFTKL
MRDEGLVNVDEPFERLLTQGMVVCETYYRENDKGGKDWINPADVELTFDD
KGRPVSAVLKADGLPVVISGTEKMSKSKNNGVDPQELINAYGADTARLFM
MFAAPPEQSLEWSDSGVEGAHRFLRRLWRTVYEYLKQGGAVKAFAGNQDG
LSKELKDLRHKLHSTTAKVSDDYGRRQQFNTAIAAVMELLNQYDKTDTGS
EQGRAVAQEVLEAAVRLLWPIVPHICETLWSELNGAKLWEAGWPTVDEAA
LVKSEIEVMVQVNGKLRGKITVAADASKADLEAAALANEGAVKFMEGKPA
KKIIVVPGRLVNIVV
Ligand information
Ligand IDDCL
InChIInChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKeyVPSSPAXIFBTOHY-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)C[CH](N)CO
CACTVS 3.370CC(C)C[C@H](N)CO
OpenEye OEToolkits 1.7.2CC(C)C[C@@H](CO)N
OpenEye OEToolkits 1.7.2CC(C)CC(CO)N
ACDLabs 12.01OCC(N)CC(C)C
FormulaC6 H15 N O
Name2-AMINO-4-METHYL-PENTAN-1-OL;
LEUCINOL
ChEMBLCHEMBL1232141
DrugBank
ZINCZINC000000391149
PDB chain7nu0 Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nu0 Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		F41 Y43 D80 S510 H547 H551
Binding residue
(residue number reindexed from 1)		F41 Y43 D80 S499 H536 H540
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.4: leucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0002161 aminoacyl-tRNA editing activity
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004823 leucine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006429 leucyl-tRNA aminoacylation
GO:0106074 aminoacyl-tRNA metabolism involved in translational fidelity
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nu0, PDBe:7nu0, PDBj:7nu0
PDBsum7nu0
PubMed36038645
UniProtB4RNT1|SYL_NEIG2 Leucine--tRNA ligase (Gene Name=leuS)

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