Structure of PDB 8k9u Chain A Binding Site BS01

Receptor Information
>8k9u Chain A (length=486) 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
AECYDKIRRGDIVGIVGFPGKSKKGELSIFPKETILLSACLHMLPMKYTE
IRYRQRYLDLLINESSRHTFVTRTKIINFLRNFLNERGFFEVETPMMNLI
AGGANARPFITHHNDLDLDLYLRIATELPLKMLIVGGIDKVYEIGKVFRN
EGIDNTHNPEFTSCEFYWAYADYNDLIKWSEDFFSQLVYHLFGTYKISYN
KDGPENQPIEIDFTPPYPKVSIVEEIEKVTNTILEQPFDSNETIEKMINI
IKEHKIELPNPPTAAKLLDQLASHFIENKYNDKPFFIVEHPQIMSPLAKY
HRTKPGLTERLEMFICGKEVLNAYTELNDPFKQKECFQLDSAFCTSLEYG
LPPTGGLGLGIDRITMFLTNKNSIKDVILFPTMRPA
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 chain8k9u 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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PDB8k9u Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		G284 E308 E346 Y348 N503 Y505 E507 G552 G554
Binding residue
(residue number reindexed from 1)		G203 E227 E265 Y267 N422 Y424 E426 G456 G458
Annotation score5
External links