Structure of PDB 4fhf Chain A Binding Site BS03

Receptor Information

>4fhf Chain A (length=338) Species: 420246 (Geobacillus thermodenitrificans NG80-2)

KPFVPKLVYFEPEALSYPLGKELYEKFTQMGIKIRETTSHNQVRGIPGET
ELARYRNAKSTLVVGVRRTLKFDSSKPSAEYAIPLATGCMGHCHYCYLQT
TLGPYIRVYVNLDDIFAQAQKYINERAPEITRFEAAATSDIVGIDHLTHS
LKKAIEFIGATDYGRLRFVTKYEHVDHLLDARHNGKTRFRFSINSRYVIN
HFEPGTSSFDGRLAAARKVAGAGYKLGFVVAPIYRHEGWERGYFELFQEL
ARQLEGMDLSDLTFELIQHRFTKPAKRVIEQRYPKTRLDLDETKRKYKWG
RYGIGKYVYRDEEAKELEDTMRRYIEQFFPGAYVQYFT

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: 4fhf Chain A Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fhf Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): R273 K309
• Binding residue (residue number reindexed from 1): R270 K306
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0003913 DNA photolyase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:1904047 S-adenosyl-L-methionine binding

Cellular Component

• GO:0042601 endospore-forming forespore

External links

• PDB: RCSB:4fhf, PDBe:4fhf, PDBj:4fhf
• PDBsum: 4fhf
• PubMed: 22761404
• UniProt: A4IQU1