Structure of PDB 5jwb Chain A

Receptor sequence

>5jwbA (length=493) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]

RKEKIIILGSGWGGFNFLLNIDFKKYDVTLISPRNYFTFTPLLPCLCSGT
LSVNVCTESIRNFLRKKNGYCGNYLQLECTDVFYEDKYINCIDIENNKVK
LFYDYLIIAVGAKTNTFNINGVDKYAYFVKDIDDALKIRKKFLDILEKCT
LPNISNEEKKKMLHVAVVGGGPTGVEVTAEFADFINKEVKINYKDIFNFI
SISIIEGGNNLLPTFTQNISDFTKENFHNLNINVLTNYYVIDVDKHSFHI
QSSLNKNEKKKLSYGLLIWASGLAQTTLIQKFLKTIPVQANNAILKVDEK
LRVIGIPSNNIYAIGDCKKIQPKLLHEHTNEIIKILTKLTSEALKLKQSE
LTKTFPQLSISKWDYEKNKKGEMTPQQFHDYLFEIDKNYKSPTPTAQNAK
QEAYYLSNVFNNFIHTNQKFNIPSFIEKWKGSLAYIGNHQVVADLPYYEL
KGGRFSSTFWKVVYIQLLLSWKSRFHFFIDFIKTKWYGRPFIK

3D structure

PDB

5jwb Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria

Chain

Resolution

2.7 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)
BS01	FAD	A	G47 S48 G49 W50 G51 P71 R72 T78 P79 C117 V148 G149 G353 D354 P434 T435 A436 Q437 A439	G9 S10 G11 W12 G13 P33 R34 T40 P41 C79 V110 G111 G315 D316 P394 T395 A396 Q397 A399
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 K168 D354	G111 A112 K130 D316
BS06	TRT	A	K501 I505 F521	K461 I465 F481
BS07	TRT	A	Q506 R514	Q466 R474
BS08	NAD	A	F155 V206 G209 P210 T211 E214 E244 G245 Y277 V278 S309 P434 L473	F117 V168 G171 P172 T173 E176 E206 G207 Y239 V240 S271 P394 L433
BS09	TRT	A	W511 F515 F518	W471 F475 F478

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:5jwb, PDBe:5jwb, PDBj:5jwb
PDBsum	5jwb
PubMed	28195463
UniProt	Q8I302

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