Structure of PDB 8jnw Chain B

Receptor sequence

>8jnwB (length=411) Species: 137071 (Plasmodium falciparum HB3) [Search protein sequence]

KPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQA
REFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSID
KIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNA
KIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQ
NLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDV
DYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIK
TNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEI
ANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAK
DKATDIYNKHN

3D structure

PDB

8jnw Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).

Chain

Resolution

1.44 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

1.1.1.267: 1-deoxy-D-xylulose-5-phosphate reductoisomerase.

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	NDP	B	G84 T86 G87 S88 I89 Y113 V114 N115 K116 S117 H136 G180 I181 D182 Q185 A203 N204 K205 W296	G9 T11 G12 S13 I14 Y38 V39 N40 K41 S42 H61 G105 I106 D107 Q110 A128 N129 K130 W221
BS02	MN	B	D231 S232 E233 E315	D156 S157 E158 E240
BS03	UW0	B	D231 S232 E233 S269 S270 W296 M298 S306 N311 K312 C338 H341 P358 D359 M360	D156 S157 E158 S194 S195 W221 M223 S231 N236 K237 C263 H266 P283 D284 M285
BS04	CA	B	Q239 L241	Q164 L166
BS05	CA	B	S139 E143	S64 E68

External links

PDB	RCSB:8jnw, PDBe:8jnw, PDBj:8jnw
PDBsum	8jnw
PubMed	38647213
UniProt	Q8IKG4\|DXR_PLAF7 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Gene Name=DXR)

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