Structure of PDB 8k9s Chain A Binding Site BS01

Receptor Information
>8k9s Chain A (length=489) Species: 5835 (Plasmodium falciparum CAMP/Malaysia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDPRLYFENRSKFIQDQKDKGINPYPHKFERTISIPEFIEKYKDLGNGEH
LEDTILNITGRIMRVSASGQKLRFFDLVGDGEKIQVLANYSFHNHEKGNF
AECYDKIRRGDIVGIVGFPGKSKKGELSIFPKETILLSACLHMLPMKYGL
KDTEIRYRQRYLDLLINESSRHTFVTRTKIINFLRNFLNERGFFEVETPM
MNLIAGGANARPFITHHNDLDLDLYLRIATELPLKMLIVGGIDKVYEIGK
VFRNEGIDNTHNPEFTSCEFYWAYADYNDLIKWSEDFFSQLVYHLFGTYK
ISYNKDGPENQPIEIDFTPPYPKVSIVEEIEKVTNTILEQPFDSNETIEK
MINIIKEHKIELPNPPTAAKLLDQLASHFIENKYNDKPFFIVEHPQIMSP
LAKYHRTKPGLTERLEMFICGKEVLNAYTELNDPFKQKECFLDSAFCTSL
EYGLPPTGGLGLGIDRITMFLTNKNSIKDVILFPTMRPA
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 chain8k9s Chain A Residue 601 [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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PDB8k9s Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		G284 E308 E346 Y348 N503 Y505 E507 G552
Binding residue
(residue number reindexed from 1)		G207 E231 E269 Y271 N426 Y428 E430 G459
Annotation score5
External links