Structure of PDB 6aqh Chain D Binding Site BS01

Receptor Information
>6aqh Chain D (length=489) Species: 1078020 (Mycolicibacterium thermoresistibile ATCC 19527) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPEQFRIRQAKRADLLAQGRQPYPVDVPRTHTLLEIRQAYPDLPVDART
GEIVGVTGRVVFARNSGKLCFATLQEGDGTQLQAMISLAEVGQEALDNWK
TYVDIGDIVFVHGEVITSKRGELSVLADSWQMAAKALRPLPVAHKEMSEE
SRVRQRYVDLIVRDQARKVARQRIAVMRAIRSALERRGFLEVETPMLQTL
AGGAAARPFVTHSNALDTELYLRIAPELFLKRCLVGGFERVFELNRVFRN
EGADSTHSPEFVMLETYQAYGTYDDSAVVTRELIQEVADEAIGTRQVPLP
DGTVYDLDGEWESIQMYPSLSEALGEEITPDTPAETLWAIADRLGLDIPR
DRGYGHGKLVEELWEHTVGAKLWAPTFVKDFPVETTPLTRSHRSIPGVTE
KWDLYVRRIELATGYSELTDPIIQRERFEAQARAAAAGDDEAMALDEDFL
AALEYGMPPSTGTGMGIDRLMMTLTGLSIRETVLFPIVK
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain6aqh Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6aqh Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium thermoresistibile complexed with L-lysine and Cladosporin
Resolution2.35 Å
Binding residue
(original residue number in PDB)		G212 E236 R258 E274 Y276 Y424 E426 G471 T472
Binding residue
(residue number reindexed from 1)		G203 E227 R249 E265 Y267 Y415 E417 G462 T463
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R258 E260 T265 H266 E419 T422 R478
Catalytic site (residue number reindexed from 1) R249 E251 T256 H257 E410 T413 R469
Enzyme Commision number 6.1.1.6: lysine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004824 lysine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006430 lysyl-tRNA aminoacylation
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:6aqh, PDBe:6aqh, PDBj:6aqh
PDBsum6aqh
PubMed
UniProtG7CF12

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