Structure of PDB 4rxc Chain A

Receptor sequence

>4rxcA (length=351) Species: 5691 (Trypanosoma brucei)

MPMQMFMQVYDEIQMFLLEELELKFDMDPNRVRYLRKMMDTTCLGGKYNR
GLTVIDVAESLLDGARRKRVLHDACVCGWMIEFLQAHYLVEDDIMDNSVT
RRGKPCWYRHPDVTVQCAINDGLLLKSWTHMMAMHFFADRPFLQDLLCRF
NRVDYTTAVGQLYDVTSMFDSNKLDPDVSQPTDFAEFTLSNYKRIVKYKT
AYYTYLLPLVMGLIVSEALPTVDMGVTEELAMLMGEYFQVQDDVMDCFTP
PRLGKVGTDIQDAKCSWLAVTFLAKASSAQVAEFKANYGSGDSEKVATVR
RLYEEADLQGDYVAYEAAVAEQVKELIEKLRLCSPGFAASVETLWGKTYK
R

3D structure

• PDB: 4rxc Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
• Chain: A
• Resolution: 2.31 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 H87 D92 D96 R101 D164 K199 F238 D242 D243

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	HRX	A	D103 R112 Q172 K212	D92 R101 Q161 K199	MOAD: ic50~33uM PDBbind-CN: -logKd/Ki=4.48,IC50~33uM
BS02	MG	A	D103 D107	D92 D96
BS03	MG	A	D103 D107	D92 D96
BS04	HRX	A	F251 Q252 D255	F238 Q239 D242	MOAD: ic50~33uM PDBbind-CN: -logKd/Ki=4.48,IC50~33uM

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:4rxc, PDBe:4rxc, PDBj:4rxc
• PDBsum: 4rxc
• PubMed: 25815158
• UniProt: Q86C09