Structure of PDB 4rxe Chain B

Receptor sequence

>4rxeB (length=359) Species: 5691 (Trypanosoma brucei)

MPMQMFMQVYDEIQMFLLEELELKFDMDPNRVRYLRKMMDTTCLGGKYNR
GLTVIDVAESLLSLDDGARRKRVLHDACVCGWMIEFLQAHYLVEDDIMDN
SVTRRGKPCWYRHPDVTVQCAINDGLLLKSWTHMMAMHFFADRPFLQDLL
CRFNRVDYTTAVGQLYDVTSMFDSNKLDPDVSQPTTTDFAEFTLSNYKRI
VKYKTAYYTYLLPLVMGLIVSEALPTVDMGVTEELAMLMGEYFQVQDDVM
DCFTPPERLGKVGTDIQDAKCSWLAVTFLAKASSAQVAEFKANYGSGDSE
KVATVRRLYEEADLQGDYVAYEAAVAEQVKELIEKLRLCSPGFAASVETL
WGKTYKRQK

3D structure

• PDB: 4rxe Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
• Chain: B
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K47 H98 D103 D107 R112 D175 K212 F251 D255 D256
• Catalytic site (residue number reindexed from 1): K47 H90 D95 D99 R104 D167 K204 F243 D247 D248

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	3YQ	B	L100 D103 R112 K212 Y216 D255	L92 D95 R104 K204 Y208 D247	MOAD: ic50=230nM
BS02	MG	B	D103 D107	D95 D99
BS03	MG	B	D255 D273	D247 D265
BS04	MG	B	D103 D107	D95 D99

Gene Ontology

Molecular Function

• GO:0004161 dimethylallyltranstransferase activity
• GO:0004337 geranyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0045337 farnesyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4rxe, PDBe:4rxe, PDBj:4rxe
• PDBsum: 4rxe
• PubMed: 25815158
• UniProt: Q86C09