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●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

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Structure of PDB 5jwc Chain H Binding Site BS09

Receptor Information >5jwc Chain H (length=495) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] RKEKIIILGSGWGGFNFLLNIDFKKYDVTLISPRNYFTFTPLLPCLCSGT LSVNVCTESIRNFLRKKNGYCGNYLQLECTDVFYEDKYINCIDIENNKVK LFYDYLIIAVGAKTNTFNINGVDKYAYFVKDIDDALKIRKKFLDILEKCT LPNISNEEKKKMLHVAVVGGGPTGVEVTAEFADFINKEVKINYKDIFNFI SISIIEGGNNLLPTFTQNISDFTKENFHNLNINVLTNYYVIDVDKHSFHI QSSLNKNEKKKLSYGLLIWASGLAQTTLIQKFLKTIPVQANNAILKVDEK LRVIGIPSNNIYAIGDCKKIQPKLLHEHTNEIIKILTGNKLTSEALKLKQ SELTKTFPQLSISKWDYEKNKKGEMTPQQFHDYLFEIDKNYKSPTPTAQN AKQEAYYLSNVFNNFIHTNQKFNIPSFIEKWKGSLAYIGNHQVVADLPYY ELKGGRFSSTFWKVVYIQLLLSWKSRFHFFIDFIKTKWYGRPFIK

Ligand information Ligand ID TRT InChI InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3 InChIKey HEUDUECKTWTQQR-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 10.04 O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC CACTVS 3.341 COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C OpenEye OEToolkits 1.5.0 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC Formula C21 H36 O4 Name FRAGMENT OF TRITON X-100; 1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE ChEMBL DrugBank DB02080 ZINC ZINC000005885272 PDB chain 5jwc Chain H Residue 608 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 5jwc Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria Resolution 2.051 Å Binding residue (original residue number in PDB) K470 V503 Q506 L507 Binding residue (residue number reindexed from 1) K432 V465 Q468 L469 Annotation score 1

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

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

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