Structure of PDB 3qqv Chain A Binding Site BS01

Receptor Information

>3qqv Chain A (length=357) Species: 1718 (Corynebacterium glutamicum)

LDLDKFPEVVRDRLTQFLDAQELTIADIGAPVTDAVAHLRSFVLNGGKRI
RPLYAWAGFLAAQGHKNSSEKLESVLDAAASLEFIQACALIHDDIIDSSD
TRRGAPTVHRAVEADHRANNFEGDPEHFGVSVSILAGDMALVWAEDMLQD
SGLSAEALARTRDAWRGMRTEVIGGQLLDIYLESHANESVELADSVNRFK
TAAYTIARPLHLGASIAGGSPQLIDALLHYGHDIGIAFQLRDDLLGVFGD
PAITGKPAGDDIREGKRTVLLALALQRADKQSPEAATAIRAGVGKVTSPE
DIAVITEHIRATGAEEEVEQRISQLTESGLAHLDDVDIPDEVRAQLRALA
IRSTERR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3qqv Chain A Residue 381

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qqv Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D108 D112
• Binding residue (residue number reindexed from 1): D93 D97
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K63 C103 D108 D112 R117 D194 K215 F253 D257 D258
• Catalytic site (residue number reindexed from 1): K48 C88 D93 D97 R102 D179 K200 F238 D242 D243
• Enzyme Commision number: 2.5.1.1: dimethylallyltranstransferase.

Gene Ontology

Molecular Function

• GO:0004161 dimethylallyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:3qqv, PDBe:3qqv, PDBj:3qqv
• PDBsum: 3qqv
• PubMed: 23493556
• UniProt: Q8NNM1