Structure of PDB 7cu0 Chain B Binding Site BS01

Receptor Information
>7cu0 Chain B (length=530) Species: 1887 (Streptomyces albogriseolus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNRIKTVVILGGGTAGWMTAAYLGKALQNTVKIVVLEAPTIPRIGVGEAT
VPNLQRAFFDYLGIPEEEWMRECNASYKMAVKFINWRTPGEGSPDPRTLD
DGHTDTFHHPFGLLPSADQIPLSHYWAAKRLQGETDENFDEACFADTAIM
NAKKAPRFLDMRRATNYAWHFDASKVAAFLRNFAVTKQAVEHVEDEMTEV
LTDERGFITALRTKSGRILQGDLFVDCSGFRGLLINKAMEEPFIDMSDHL
LCNSAVATAVPHDDEKNGVEPYTSSIAMEAGWTWKIPMLGRFGSGHVYSD
HFATQDEATLAFSKLWGLDPDNTEFNHVRFRVGRNRRAWVRNCVSVGLAS
CFVEPLESSGIYFIYAAIHMLAKHFPDKTFDKVLVDRFNREIEEMFDDTR
DFLQAHYYFSPRVDTPFWRANKELKLADSIKDKVETYRAGLPVNLPVTDE
GTYYGNFEAEFRNFWTNGSYYCIFAGLGLMPRNPLPALAYKPQSIAEAEL
LFADVKRKGDTLVESLPSTYDLLRQLHGAS
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 chain7cu0 Chain B Residue 601 [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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PDB7cu0 Dissecting the low catalytic capability of flavin-dependent halogenases.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P53 H110 P111 F112 E358 Y454 Y455 E461 F465 W466
Binding residue
(residue number reindexed from 1)		P52 H109 P110 F111 E357 Y453 Y454 E460 F464 W465
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.19.59: tryptophan 6-halogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:7cu0, PDBe:7cu0, PDBj:7cu0
PDBsum7cu0
PubMed33465708
UniProtA1E280|TRP6H_STRAO Tryptophan 6-halogenase ThaL (Gene Name=thaL)

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