Structure of PDB 1ltk Chain C Binding Site BS01

Receptor Information
>1ltk Chain C (length=424) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSMHHHHHHLGNKLSISDLKDIKNKKVLVRVDFNVPIENGIIKDTNRITA
TLPTINHLKKEGASKIILISHCGRPDGLRNEKYTLKPVAETLKGLLGEEV
LFLNDCVGKEVEDKINAAKENSVILLENLRFHIEEEGKGVDANGNKVKAN
KEDVEKFQNDLTKLADVFINDAFGTAHRAHSSMVGVKLNVKASGFLMKKE
LEYFSKALENPQRPLLAILGGAKVSDKIQLIKNLLDKVDRMIIGGGMAYT
FKKVLNNMKIGTSLFDEAGSKIVGEIMEKAKAKNVQIFLPVDFKIADNFD
NNANTKFVTDEEGIPDNWMGLDAGPKSIENYKDVILTSKTVIWNGPQGVF
EMPNFAKGSIECLNLVVEVTKKGAITIVGGGDTASLVEQQNKKNEISHVS
TGGGASLELLEGKELPGVLALSNK
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1ltk Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ltk CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE KINASE FROM PLASMODIUM FALCIPARUM
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G213 A214 K215 G237 G238 G340 V341 E343 D374
Binding residue
(residue number reindexed from 1)		G221 A222 K223 G245 G246 G348 V349 E351 D382
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R39 K215 G373 G396
Catalytic site (residue number reindexed from 1) R47 K223 G381 G404
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0004618 phosphoglycerate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0016310 phosphorylation
Cellular Component
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:1ltk, PDBe:1ltk, PDBj:1ltk
PDBsum1ltk
PubMed
UniProtP27362|PGK_PLAF7 Phosphoglycerate kinase (Gene Name=PGK)

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