Structure of PDB 4r33 Chain A Binding Site BS03

Receptor Information

>4r33 Chain A (length=384) Species: 1885 (Streptomyces actuosus)

GDFVLPELEDVRAEAATVDTRAVLALAEGEEPAESRAAVALALWEDRSIG
TAELQAAAEARCGARRPRLHTFVPLYTTNYCDSECKMCSMRKGNHRLDRK
FSGRKEITEQLEILYHHEGVRGVGFLTGEYEDKHTRLASAFRIGWAIRTA
LDLGFERVYFNIGSMEQDEIDVLGEWIGREDPVTMCVFQESYDRETYRRF
MGKTSVGVPKADFDRRVVSFDRWLDAGYRYVNPGVLVGLHDDLSAELVSL
VAHGDHLRSRGATADLSVPRMRPAMKSRDTTRVGDDDYLRLMSVVAFTCP
EQRLVLTTREPQEFQDVALGLAGVISPGSPDVAPYRAGCEARNDEKSSQF
LVADLRRPRHILGRIEASGTPVDHFVNPAGEASR

Ligand information

• Ligand ID: TRP
• InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
• InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c2ccccc12)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
• Formula: C11 H12 N2 O2
• Name: TRYPTOPHAN
• ChEMBL: CHEMBL54976
• DrugBank: DB00150
• ZINC: ZINC000000083315
• PDB chain: 4r33 Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4r33 Crystal Structure of Tryptophan Lyase (NosL): Evidence for Radical Formation at the Amino Group of Tryptophan.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): F86 P88 L140 F202 T321 R323 S340
• Binding residue (residue number reindexed from 1): F72 P74 L126 F188 T307 R309 S326
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:4r33, PDBe:4r33, PDBj:4r33
• PDBsum: 4r33
• PubMed: 25196319
• UniProt: C6FX51