Structure of PDB 2ok7 Chain D Binding Site BS03

Receptor Information
>2ok7 Chain D (length=262) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFINLYTVKNPLKCKIVDKINLVRPNSPNEVYHLEINHNGLFKYLEGHTC
GIIPYYNELDKQRCARLYSISSSNNMENLSVAIKIHKYETNYGYCSGFIK
NLKINDDIYLTGAHGYFNLPNDAIQKNTNFIFIATGTGISPYISFLKKLF
AYDKNNLYNRNSNYTGYITIYYGVYNEDSILYLNELEYFQKMYPNNINIH
YVFSYKTSFYVQDEIYKRKTEFLNLFNNYKCELYICGHKSIRYKVMDILK
EKKKKRVHVEVY
Ligand information
Ligand IDA2P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyAEOBEOJCBAYXBA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-2'-5'-DIPHOSPHATE
ChEMBLCHEMBL1161861
DrugBankDB02098
ZINCZINC000004096223
PDB chain2ok7 Chain D Residue 416 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB2ok7 Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V217 Y218 S247 Y258 Q260 H286 S288
Binding residue
(residue number reindexed from 1)		V174 Y175 S204 Y210 Q212 H238 S240
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y103 S104 C284 E314 Y316
Catalytic site (residue number reindexed from 1) Y68 S69 C236 E260 Y262
Enzyme Commision number 1.18.1.2: ferredoxin--NADP(+) reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:2ok7, PDBe:2ok7, PDBj:2ok7
PDBsum2ok7
PubMed17258767
UniProtC6KT68|FENR_PLAF7 Ferredoxin--NADP reductase, apicoplast (Gene Name=FNR)

[Back to BioLiP]