Structure of PDB 7w8w Chain A Binding Site BS02

Receptor Information

>7w8w Chain A (length=346) Species: 659352 (Streptomyces sp. SN-593)

GSHLEPTQLGGLVTDQLARLCDVARLDRTDTETYVQTLATSLGTAAERSL
ALPPTTATLLSDDHTPVEYSLAFLPGATPALRVLVEPGWDSGDLAENGRA
GLRAIRAMADRWNFSTDQLDLLEDLFFPVAPAGPFALWCALELRPGGVPG
VKVYLNPAARGRDRRAETLREALDRLGHRQAFAALPPADDYPFLALDLGE
WAAPRVKVYCTHESLSAQEAGEYSRGRDQTTDFFHAVAGTPSTRRALTCH
SFTDTVTGRPSGFTLHMPVRSYVEHDGRARDRAADVLRRYGMDNDALDRA
LAAVTPRPLDDGVGLVAYVALVHQLGRDPRVTVYVSSEAYAVQPPR

Ligand information

• Ligand ID: D0Q
• InChI: InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
• InChIKey: HUNCSWANZMJLPM-JTQLQIEISA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 2.0.6: Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.385: Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
  CACTVS 3.385: Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
• Formula: C12 H14 N2 O2
• Name: 5-methyl-L-tryptophan
• ZINC: ZINC000000391256
• PDB chain: 7w8w Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7w8w Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): L75 L76 E84 W154 H294 Y346 Y362
• Binding residue (residue number reindexed from 1): L59 L60 E68 W138 H266 Y318 Y334
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0009820 alkaloid metabolic process

External links

• PDB: RCSB:7w8w, PDBe:7w8w, PDBj:7w8w
• PDBsum: 7w8w
• PubMed: 35074664
• UniProt: D6RT90