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Structure of PDB 7bt5 Chain A Binding Site BS01

Receptor Information >7bt5 Chain A (length=482) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VDPRLYFENRSKFIQDQKDKGINPYPHKFERTISIPEFIEKYKDLGNGEH LEDTILNITGRIMRVSAQKLRFFDLVGDGEKIQVLANYSFHNHEKGNFAE CYDKIRRGDIVGIVGFPGKSKKGELSIFPKETILLSACLHMLPMKYGLKD TEIRYRQRYLDLLINESSRHTFVTRTKIINFLRNFLNERGFFEVETPMMN LIANARPFITHHNDLDLDLYLRIATELPLKMLIVGGIDKVYEIGKVFRNE GIDNTHNPEFTSCEFYWAYADYNDLIKWSEDFFSQLVYHLFGTYKISYNK DGPENQPIEIDFTPPYPKVSIVEEIEKVTNTILEQPFDSNETIEKMINII KEHKIELPNPPTAAKLLDQLASHFIENKYNDKPFFIVEHPQIMSPLAKYH RTKPGLTERLEMFICGKEVLNAYTELNDPFKQKECFDSAFCTSLEYGLPP TGGLGLGIDRITMFLTNKNSIKDVILFPTMRP

Ligand information Ligand ID LYS InChI InChI=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 InChIKey KDXKERNSBIXSRK-YFKPBYRVSA-O SMILES Software SMILES CACTVS 3.341 N[CH](CCCC[NH3+])C(O)=O ACDLabs 10.04 O=C(O)C(N)CCCC[NH3+] OpenEye OEToolkits 1.5.0 C(CC[NH3+])C[C@@H](C(=O)O)N CACTVS 3.341 N[C@@H](CCCC[NH3+])C(O)=O OpenEye OEToolkits 1.5.0 C(CC[NH3+])CC(C(=O)O)N Formula C6 H15 N2 O2 Name LYSINE ChEMBL DrugBank ZINC PDB chain 7bt5 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7bt5 Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor. Resolution 2.493 Å Binding residue (original residue number in PDB) E308 E346 Y505 E507 G554 Binding residue (residue number reindexed from 1) E226 E264 Y423 E425 G455 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) R330 E332 T337 H338 E500 N503 R559 Catalytic site (residue number reindexed from 1) R248 E250 T255 H256 E418 N421 R460 Enzyme Commision number 6.1.1.6: lysine--tRNA ligase.

Gene Ontology Molecular Function GO:0000166 nucleotide binding GO:0003676 nucleic acid binding GO:0004812 aminoacyl-tRNA ligase activity GO:0004824 lysine-tRNA ligase activity GO:0005524 ATP binding

	Biological Process
GO:0006418	tRNA aminoacylation for protein translation
GO:0006430	lysyl-tRNA aminoacylation

	Cellular Component
GO:0005737	cytoplasm

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