Structure of PDB 4ari Chain A Binding Site BS02

Receptor Information
>4ari Chain A (length=821) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMQEQYRPEEIESKVQLHWDEKRTFEVTEDESKEKYYCLSMLPYPSGRLH
MGHVRNYTIGDVIARYQRMLGKNVLQPIGWDAFGLPAEGAAVKNNTAPAP
WTYDNIAYMKNQLKMLGFGYDWSRELATCTPEYYRWEQKFFTELYKKGLV
YKKTSAVEIPQWFIKITAYADELLNDLDKLDHWPDTVKTMQRNWIGRSEG
VEITFNVNDYDNTLTVYTTRPDTFMGCTYLAVAAGHPLAQKAAENNPELA
AFIDECRNTEKKGVDTGFKAVHPLTGEEIPVWAANFVLMEYGTGAVMAVP
GHDQRDYEFASKYGLNIKPVILAADGSEPDLSQQALTEKGVLFNSGEFNG
LDHEAAFNAIADKLTAMGVGERKVNYRLRDWGVSRQRYWGAPIPMVTLED
GTVMPTPDDQLPVILPEDVVMDGITSPIKADPEWAKTTVNGMPALRETDT
FDTFMESSWYYARYTCPQYKEGMLDSEAANYWLPVDIYIGGIEHAIMHLL
YFRFFHKLMRDAGMVNSDEPAKQLLCQGMVLADAFYYVGENGERNWVSPV
DAIVERDEKGRIVKAKDAAGHELVYTGMSKMSKSKNNGIDPQVMVERYGA
DTVRLFMMFASPADMTLEWQESGVEGANRFLKRVWKLVYEHTAKGDVAAL
NVDALTENQKALRRDVHKTIAKVTDDIGRRQTFNTAIAAIMELMNKLAKA
PTDGEQDRALMQEALLAVVRMLNPFTPHICFTLWQELKGEGDIDNAPWPV
ADEKAMVEDSTLVVVQVNGKVRAKITVPVDATEEQVRERAGQEHLVAKYL
DGVTVRKVIYVPGKLLNLVVG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4ari Chain A Residue 1865 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ari Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Resolution2.08 Å
Binding residue
(original residue number in PDB)		V236 Y239
Binding residue
(residue number reindexed from 1)		V207 Y210
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L41 H49 H52 D80 F493 H533 F543 K619 K622
Catalytic site (residue number reindexed from 1) L42 H50 H53 D81 F454 H494 F504 K580 K583
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:0005515 protein binding
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:4ari, PDBe:4ari, PDBj:4ari
PDBsum4ari
PubMed22683997
UniProtP07813|SYL_ECOLI Leucine--tRNA ligase (Gene Name=leuS)

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