Structure of PDB 3au8 Chain B

Receptor sequence

>3au8B (length=405) Species: 5833 (Plasmodium falciparum)

PINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAR
EFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDK
IVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAK
IIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQN
LTMDELKNVTSENALKHPKWKKITIDSATMMNKGLEVIETHFLFDVDYND
IEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLK
PLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNL
FLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKAT
DIYNK

3D structure

• PDB: 3au8 Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
• Chain: B
• Resolution: 1.86 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	NDP	B	G84 T86 G87 S88 I89 Y113 V114 N115 K116 S117 H136 G180 I181 D182 Q185 A203 N204 K205 D231	G8 T10 G11 S12 I13 Y37 V38 N39 K40 S41 H60 G104 I105 D106 Q109 A127 N128 K129 D155
BS02	MN	B	D231 E233 E315	D155 E157 E236

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0030145 manganese ion binding
• 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
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
• GO:0051484 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process

Cellular Component

• GO:0020011 apicoplast

External links

• PDB: RCSB:3au8, PDBe:3au8, PDBj:3au8
• PDBsum: 3au8
• PubMed: 22355528
• UniProt: O96693|DXR_PLAFX 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Gene Name=DXR)