Structure of PDB 4kp7 Chain A

Receptor sequence

>4kp7A (length=409) Species: 137071 (Plasmodium falciparum HB3)

PINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAR
EFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDK
IVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAK
IIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQN
LTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVD
YNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKT
NLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIA
NNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKD
KATDIYNKH

3D structure

• PDB: 4kp7 IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters.
• Chain: A
• Resolution: 2.0 Å

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)	Binding affinity
BS01	MN3	A	D231 E233 E315	D155 E157 E239
BS02	NAP	A	G84 T86 G87 S88 I89 Y113 N115 K116 S117 H136 G180 I181 D182 Q185 A203 N204 G299 M360	G8 T10 G11 S12 I13 Y37 N39 K40 S41 H60 G104 I105 D106 Q109 A127 N128 G223 M284
BS03	1UQ	A	D231 S232 E233 S269 S270 W296 M298 S306 N311 K312	D155 S156 E157 S193 S194 W220 M222 S230 N235 K236	MOAD: ic50=9.4nM

Gene Ontology

Molecular Function

• GO:0030604 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity
• GO:0046872 metal ion binding
• GO:0070402 NADPH binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:4kp7, PDBe:4kp7, PDBj:4kp7
• PDBsum: 4kp7
• PubMed: 24032981
• UniProt: O96693|DXR_PLAFX 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Gene Name=DXR)