Structure of PDB 6lr6 Chain A Binding Site BS01

Receptor Information
>6lr6 Chain A (length=1003) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAKVDFLKKIEKEIQQKWDTERVFEVNASNLEKQTSKGKYFVTFPYPYMN
GRLHLGHTFSLSKCEFAVGYQRLKGKCCLFPFGLHCTGMPIKACADKLKR
EIELYGCPPDFPYQWGIMKSLGLSDEEIVKFSEAEHWLDYFPPLAIQDLK
RMGLKVDWRRSFITTDVNPYYDSFVRWQFLTLRERNKIKFGKRYTIYSPK
DGQPCMDHDRQTGEGVGPQEYTLLKLKVLEPYPSKLSGLKGKNIFLVAAT
LRPETMFGQTNCWVRPDMKYIGFETVNGDIFICTQKAARNMSYQGFTKDN
GVVPVVKELMGEEILGASLSAPLTSYKVIYVLPMLTIKEDKGTGVVTSVP
SDSPDDIAALRDLKKKQALRAKYGIRDDMVLPFEPVPVIEIPGFGNLSAV
TICDELKIQSQNDREKLAEAKEKIYLKGFYEGIMLVDGFKGQKVQDVKKT
IQKKMIDAGDALIYMEPEKQVMSRSSDECVVALCDQWYLDYGEENWKKQT
SQCLKNLETFCEETRRNFEATLGWLQEHACSRTYGLGTHLPWDEQWLIES
LSDSTIYMAFYTVAHLLQGGNLHGQAESPLGIRPQQMTKEVWDYVFFKEA
PFPKTQIAKEKLDQLKQEFEFWYPVDLRVSGKDLVPNHLSYYLYNHVAMW
PEQSDKWPTAVRANGHLLLNSEKMSKSTGNFLTLTQAIDKFSADGMRLAL
ADAGDTVEDANFVEAMADAGILRLYTWVEWVKEMVANWDSLRSGPASTFN
DRVFASELNAGIIKTDQNYEKMMFKEALKTGFFEFQAAKDKYRELAVEGM
HRELVFRFIEVQTLLLAPFCPHLCEHIWTLLGKPDSIMNASWPVAGPVNE
VLIHSSQYLMEVTHDLRLRLKNYKPSHCTIYVAKNYPPWQHTTLSVLRKH
FEANNGKLPDNKVIASELGSMPELKKYMKKVMPFVAMIKENLEKMGPRIL
DLQLEFDEKAVLMENIVYLTNSLELEHIEVKFASEAEDKIREDCCPGKPL
NVF
Ligand information
Ligand IDLSS
InChIInChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1
InChIKeyXFEDFDTWJLGMBO-LEJQEAHTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N
ACDLabs 12.01O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C
CACTVS 3.370CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
FormulaC16 H25 N7 O7 S
Name5'-O-(L-leucylsulfamoyl)adenosine;
5-O-N-LEUCYL-SULFAMOYLADENOSINE
ChEMBLCHEMBL1163081
DrugBank
ZINCZINC000033821383
PDB chain6lr6 Chain A Residue 1200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6lr6 Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Resolution3.009 Å
Binding residue
(original residue number in PDB)		F50 P51 Y52 P53 Y54 G62 H63 S66 H91 S597 S673 G674 H681 H709 L710
Binding residue
(residue number reindexed from 1)		F44 P45 Y46 P47 Y48 G56 H57 S60 H85 S554 S630 G631 H638 H666 L667
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) Y52 H91 V638 L677 Y687 K716 K719
Catalytic site (residue number reindexed from 1) Y46 H85 V595 L634 Y644 K673 K676
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:0004819 glutamine-tRNA ligase activity
GO:0004823 leucine-tRNA ligase activity
GO:0005096 GTPase activator activity
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006425 glutaminyl-tRNA aminoacylation
GO:0006429 leucyl-tRNA aminoacylation
GO:0008361 regulation of cell size
GO:0032008 positive regulation of TOR signaling
GO:0034198 cellular response to amino acid starvation
GO:0043547 positive regulation of GTPase activity
GO:0071230 cellular response to amino acid stimulus
GO:0071233 cellular response to L-leucine
GO:0106074 aminoacyl-tRNA metabolism involved in translational fidelity
GO:1904263 positive regulation of TORC1 signaling
GO:1990253 cellular response to leucine starvation
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0012505 endomembrane system
GO:0016604 nuclear body
GO:0017101 aminoacyl-tRNA synthetase multienzyme complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6lr6, PDBe:6lr6, PDBj:6lr6
PDBsum6lr6
PubMed32232361
UniProtQ9P2J5|SYLC_HUMAN Leucine--tRNA ligase, cytoplasmic (Gene Name=LARS1)

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