Structure of PDB 5jwc Chain A

Receptor sequence

>5jwcA (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

Resolution

2.051 Å

3D
structure

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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	FAD	A	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
BS02	MG	A	A147 G149 I352 G353 C355	A109 G111 I314 G315 C317
BS03	MG	A	G49 G51 G52 A147	G11 G13 G14 A109
BS04	MG	A	R72 T76	R34 T38
BS05	MG	A	G149 A150	G111 A112
BS06	TRT	A	W511 R514	W473 R476
BS07	TRT	A	Q437 V503 Q506 L507	Q399 V465 Q468 L469
BS08	4W0	A	Y74 N92	Y36 N54	MOAD: ic50=3.73nM
BS09	4W0	A	L84 G87 R177 P530 I532 K533	L46 G49 R139 P492 I494 K495	MOAD: ic50=3.73nM
BS10	4W0	A	E218 D221 N224 K225 Y475 N478 H479 W500 K501 R529	E180 D183 N186 K187 Y437 N440 H441 W462 K463 R491	MOAD: ic50=3.73nM
BS11	TRT	A	W511 F518	W473 F480

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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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:5jwc, PDBe:5jwc, PDBj:5jwc
PDBsum	5jwc
PubMed	28195463
UniProt	Q8I302

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