Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 5jwc Chain H

Receptor sequence >5jwcH (length=495) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] RKEKIIILGSGWGGFNFLLNIDFKKYDVTLISPRNYFTFTPLLPCLCSGT LSVNVCTESIRNFLRKKNGYCGNYLQLECTDVFYEDKYINCIDIENNKVK LFYDYLIIAVGAKTNTFNINGVDKYAYFVKDIDDALKIRKKFLDILEKCT LPNISNEEKKKMLHVAVVGGGPTGVEVTAEFADFINKEVKINYKDIFNFI SISIIEGGNNLLPTFTQNISDFTKENFHNLNINVLTNYYVIDVDKHSFHI QSSLNKNEKKKLSYGLLIWASGLAQTTLIQKFLKTIPVQANNAILKVDEK LRVIGIPSNNIYAIGDCKKIQPKLLHEHTNEIIKILTGNKLTSEALKLKQ SELTKTFPQLSISKWDYEKNKKGEMTPQQFHDYLFEIDKNYKSPTPTAQN AKQEAYYLSNVFNNFIHTNQKFNIPSFIEKWKGSLAYIGNHQVVADLPYY ELKGGRFSSTFWKVVYIQLLLSWKSRFHFFIDFIKTKWYGRPFIK

3D structure PDB 5jwc Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria Chain H Resolution 2.051 Å 3D structure [Spin on] [Spin off] [Reset orientation] [High quality] [Low quality] [White background] [Black background] [Download] [Download structure with residue number starting from 1]

Enzymatic activity Enzyme Commision number 1.6.5.9: NADH:ubiquinone reductase (non-electrogenic).

Interaction with ligand Site # Ligand Ligand chain Binding residues on receptor (original residue number in PDB) Binding residues on receptor (residue number reindexed from 1) Binding affinity BS01 TRT H W511 F515 F518 W473 F477 F480 BS02 4W0 H L84 G87 S90 R177 P530 I532 K533 L46 G49 S52 R139 P492 I494 K495 MOAD: ic50=3.73nM BS03 4W0 H Y74 N92 Y36 N54 MOAD: ic50=3.73nM BS04 FAD H G47 S48 G49 W50 G51 S70 P71 R72 T78 P79 C117 A147 V148 G149 V167 T211 G353 D354 P434 T435 A436 G9 S10 G11 W12 G13 S32 P33 R34 T40 P41 C79 A109 V110 G111 V129 T173 G315 D316 P396 T397 A398 BS05 MG H A147 G149 I352 G353 C355 A109 G111 I314 G315 C317 BS06 MG H G49 G51 G52 A147 G11 G13 G14 A109 BS07 MG H R72 F75 T76 R34 F37 T38 BS08 MG H G149 A150 K168 G111 A112 K130 BS09 TRT H K470 V503 Q506 L507 K432 V465 Q468 L469 BS10 4W0 H E218 D221 K225 Y475 N478 H479 W500 K501 R529 E180 D183 K187 Y437 N440 H441 W462 K463 R491 MOAD: ic50=3.73nM

Gene Ontology Molecular Function GO:0000166 nucleotide binding GO:0003954 NADH dehydrogenase activity GO:0003960 NADPH:quinone reductase activity GO:0016491 oxidoreductase activity GO:0046872 metal ion binding GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity

	Biological Process
GO:0006116	NADH oxidation

	Cellular Component
GO:0005739	mitochondrion

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component