Structure of PDB 8k9u Chain B Binding Site BS01

Receptor Information
>8k9u Chain B (length=477) Species: 5835 (Plasmodium falciparum CAMP/Malaysia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDPRLYFENRSKFIQDQKDKGINPYPHKFERTISIPEFIEKYKDLGNGEH
LEDTILNITGRIMRVSKLRFFDLVGDGEKIQVLANYSFHNHEKGNFAECY
DKIRRGDIVGIVGFPGKSKKGELSIFPKETILLSACLHMLPMKYTEIRYR
QRYLDLLINESSRHTFVTRTKIINFLRNFLNERGFFEVETPMMNLIANAR
PFITHHNDLDLDLYLRIATELPLKMLIVGGIDKVYEIGKVFRNEGIDNTH
NPEFTSCEFYWAYADYNDLIKWSEDFFSQLVYHLFGTYKISYNKDGPENQ
PIEIDFTPPYPKVSIVEEIEKVTNTILEQPFDSNETIEKMINIIKEHKIE
LPNPPTAAKLLDQLASHFIENKYNDKPFFIVEHPQIMSPLAKYHRTKPGL
TERLEMFICGKEVLNAYTELNDPFKQKECFDSAFCTSLEYGLPPTGGLGL
GIDRITMFLTNKNSIKDVILFPTMRPA
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 B Residue 602 [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)		E308 E346 Y348 N503 Y505 G552 L553 G554
Binding residue
(residue number reindexed from 1)		E220 E258 Y260 N415 Y417 G447 L448 G449
Annotation score5
External links