Structure of PDB 4rxc Chain B

Receptor sequence

>4rxcB (length=352) Species: 5691 (Trypanosoma brucei)

MPMQMFMQVYDEIQMFLLEELELKFDMDPNRVRYLRKMMDTTCLGGKYNR
GLTVIDVAESLLSDGARRKRVLHDACVCGWMIEFLQAHYLVEDDIMDNSV
TRRGKPCWYRHPDVTVQCAINDGLLLKSWTHMMAMHFFADRPFLQDLLCR
FNRVDYTTAVGQLYDVTSMFDSNKLDPDVSQPDFAEFTLSNYKRIVKYKT
AYYTYLLPLVMGLIVSEALPTVDMGVTEELAMLMGEYFQVQDDVMDCFTP
PERLGKVGTDIQDAKCSWLAVTFLAKASSAQVAEFKANYGSGDSEKVATV
RRLYEEADLQGDYVAYEAAVAEQVKELIEKLRLCSPGFAASVETLWGKTY
KR

3D structure

• PDB: 4rxc Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
• Chain: B
• 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 H88 D93 D97 R102 D165 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	B	D103 R112 Q172 Y216	D93 R102 Q162 Y203	MOAD: ic50~33uM PDBbind-CN: -logKd/Ki=4.48,IC50~33uM
BS02	MG	B	D103 D107	D93 D97
BS03	MG	B	D103 D107	D93 D97
BS04	HRX	B	F251 Q252 D255 K269	F238 Q239 D242 K256	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