Structure of PDB 6sdq Chain A Binding Site BS02

Receptor Information

>6sdq Chain A (length=361) Species: 5693 (Trypanosoma cruzi)

MASMERFLSVYDEVQAFLLDQLQSKYEIDPNRARYLRIMMDTTCLGGKYF
RGMTVVNVAEGFLAVTQHDEATKERILHDACVGGWMIEFLQAHYLVEDDI
MDGSVMRRGKPCWYRFPGVTTQCAINDGIILKSWTQIMAWHYFADRPFLK
DLLCLFQKVDYATAVGQMYDVTSMCDSNKLDPEVAQPMTTDFAEFTPAIY
KRIVKYKTTFYTYLLPLVMGLLVSEAAASVEMNLVERVAHLIGEYFQVQD
DVMDCFTPPEQLGKVGTDIEDAKCSWLAVTFLGKANAAQVAEFKANYGEK
DPAKVAVVKRLYSKANLQADFAAYEAEVVREVESLIEQLKVKSPTFAESV
AVVWEKTHKRK

Ligand information

• Ligand ID: L8Q
• InChI: InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
• InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: COc1ccc(cc1O)[N+](=O)[O-]
  CACTVS 3.385: COc1ccc(cc1O)[N+]([O-])=O
• Formula: C7 H7 N O4
• Name: 2-methoxy-5-nitro-phenol
• ZINC: ZINC000000295034
• PDB chain: 6sdq Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sdq Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
• Resolution: 1.68 Å
• Binding residue (original residue number in PDB): F50 T54 T212 Y213 K356 T357 R360
• Binding residue (residue number reindexed from 1): F50 T54 T212 Y213 K356 T357 R360
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K48 H93 D98 D102 R107 D170 K207 F246 D250 D251
• Catalytic site (residue number reindexed from 1): K48 H93 D98 D102 R107 D170 K207 F246 D250 D251

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:6sdq, PDBe:6sdq, PDBj:6sdq
• PDBsum: 6sdq
• UniProt: Q8WS26