Structure of PDB 3g6k Chain C Binding Site BS01

Receptor Information

>3g6k Chain C (length=292) Species: 5478 (Nakaseomyces glabratus)

VMRLGDAAELCYNLTSSYLQIAAESDSIIAQTQRAINTTKSILINETFPK
WSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVFPLTKLPTVFIDHDD
TFKTLENFIEETSLRYSLSLYESDRDKCETMAEAFETFLQVFPETKAIVI
GIRHTDPFGEHLKPIQKTDANWPDFYRLQPLLHWNLANIWSFLLYSNEPI
CELYRYGFTSLGNVEETLPNPHLRKDKNSTPLKLNFEWEIENRYKHNEVT
KAEPIPIADEDLVKIENLHEDYYPGWYLVDDKLERAGRIKKK

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 3g6k Chain C Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3g6k Structure and mechanism of a eukaryotic FMN adenylyltransferase.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): N62 G64 K65 D66 C67 Y216 L223
• Binding residue (residue number reindexed from 1): N63 G65 K66 D67 C68 Y204 L211
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.7.7.2: FAD synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0003919 FMN adenylyltransferase activity
• GO:0005524 ATP binding
• GO:0016779 nucleotidyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006747 FAD biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3g6k, PDBe:3g6k, PDBj:3g6k
• PDBsum: 3g6k
• PubMed: 19375431
• UniProt: Q6FNA9