Structure of PDB 2nw9 Chain B Binding Site BS01

Receptor Information
>2nw9 Chain B (length=269) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLEGRLTYGGYLRLDQLLSAQQPLSEPAHHDEMLFIIQHQTSELWLKLLA
HELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSVLETLTPSEYMGF
RDVLGPSSGFQSLQYRYIEFLLGNKNPQMLQVFAYDPAGQARLREVLEAP
SLYEEFLRYLARFGHAIPQQYQARDWTAAHVADDTLRPVFERIYENTDRY
WREYSLCEDLVDVETQFQLWRFRHMRTVMRVIGFSSGVGFLQQALALTFF
PELFDVRTSVGVDNRPPQG
Ligand information
Ligand IDFT6
InChIInChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKeyYMEXGEAJNZRQEH-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2c1ccc(F)cc1nc2
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N
FormulaC11 H11 F N2 O2
Name6-FLUORO-L-TRYPTOPHAN;
(S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID
ChEMBL
DrugBank
ZINCZINC000000056393
PDB chain2nw9 Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nw9 Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y24 L28
Binding residue
(residue number reindexed from 1)		Y8 L12
Annotation score3
Enzymatic activity
Enzyme Commision number 1.13.11.11: tryptophan 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0004833 tryptophan 2,3-dioxygenase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006569 tryptophan catabolic process
GO:0019441 tryptophan catabolic process to kynurenine
GO:0019442 tryptophan catabolic process to acetyl-CoA

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2nw9, PDBe:2nw9, PDBj:2nw9
PDBsum2nw9
PubMed17197414
UniProtQ8PDA8|T23O_XANCP Tryptophan 2,3-dioxygenase (Gene Name=kynA)

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