Structure of PDB 7w8y Chain A Binding Site BS02

Receptor Information
>7w8y Chain A (length=346) Species: 659352 (Streptomyces sp. SN-593) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHLEPTQLGGLVTDQLARLCDVARLDRTDTETYVQTLATSLGTAAERSL
ALPPTTATLLSDDHTPVEYSLAFLPGATPALRVLVEPGWDSGDLAENGRA
GLRAIRAMADRWNFSTDQLDLLEDLFFPVAPAGPFALWCALELRPGGVPG
VKVYLNPAARGRDRRAETLREALDRLGHRQAFAALPPADDYPFLALDLGE
WAAPRVKVYCTHESLSAQEAGEYSRLGRDQTTDFFHAVAGTPSTRRALTC
HSFTDTVTGRPSGFTLHMPVRSYVEHDGRARDRAADVLRRYGMDNDALDR
ALAAVTPRPLDDGVGLVAYVALVHQLGRDPRVTVYVSSEAYAVQPP
Ligand information
Ligand IDE9M
InChIInChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyCZCIKBSVHDNIDH-NSHDSACASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(C)C(Cc1cnc2c1cccc2)C(=O)O
CACTVS 3.385CN[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.385CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.7.6CNC(Cc1c[nH]c2c1cccc2)C(=O)O
OpenEye OEToolkits 1.7.6CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O
FormulaC12 H14 N2 O2
NameN-methyl-L-tryptophan
ChEMBLCHEMBL552941
DrugBank
ZINCZINC000000056981
PDB chain7w8y Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w8y Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		L75 L76 E84 R298 Y346
Binding residue
(residue number reindexed from 1)		L59 L60 E68 R271 Y319
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7w8y, PDBe:7w8y, PDBj:7w8y
PDBsum7w8y
PubMed35074664
UniProtD6RT90

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