Structure of PDB 3x27 Chain C Binding Site BS02

Receptor Information
>3x27 Chain C (length=309) Species: 531310 (Marinactinospora thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIEIEWVQPGITVTADLSWERNPELAELLWTGLLPYNSLQNHALVSGNHL
YHLIADPRLVYTEARYKEDRTKSPDGTVFLSQLQHLAVKYGPLTEYLPAA
PVGSVVPEDIDALREAGRACWKAAWETKQPIEVRVRRKGEAVTDFALPRT
PPVDHPGVQKLVEEIQDETERVWITPPAEIVDMHQGRIASRAGSYDQYFS
TLVFLNGEVRPLGYCALNGLLKICRTTDLTLNDLKRITPTFIKTPAEFLG
YTGLDTLWRFTQQVLTLLPDVETREQYFALVNALALYANMLNTWNLHFFP
WQHGTDYRY
Ligand information
Ligand IDTRP
InChIInChI=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
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain3x27 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3x27 Structural Basis for beta-Carboline Alkaloid Production by the Microbial Homodimeric Enzyme McbB
Resolution2.481 Å
Binding residue
(original residue number in PDB)		E210 F250
Binding residue
(residue number reindexed from 1)		E208 F248
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links