Structure of PDB 1egy Chain A Binding Site BS03

Receptor Information
>1egy Chain A (length=403) Species: 1836 (Saccharopolyspora erythraea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVPDLESDSFHVDWYSTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAA
LSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRL
RKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIK
VICELLGVDEAARGAFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVE
RRRTEPGDDLLSALISVQDDDDGRLSADELTSIALVLLLAGFEASVSLIG
IGTYLLLTHPDQLALVRADPSALPNAVEEILRYIAPPETTTRFAAEEVEI
GGVAIPQYSTVLVANGAANRDPSQFPDPHRFDVTRDTRGHLSFGQGIHFC
MGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVR
LDG
Ligand information
Ligand ID9AP
InChIInChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
InChIKeyKIHQWOBUUIPWAN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc(c3c2cccc3)N
CACTVS 3.341Nc1cc2ccccc2c3ccccc13
ACDLabs 10.04c23c1ccccc1cc(N)c2cccc3
FormulaC14 H11 N
Name9-AMINOPHENANTHRENE
ChEMBLCHEMBL83088
DrugBankDB03369
ZINCZINC000001509324
PDB chain1egy Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1egy Crystal structures of ligand complexes of P450eryF exhibiting homotropic cooperativity.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		A74 F78 F86 A241 L391
Binding residue
(residue number reindexed from 1)		A73 F77 F85 A240 L390
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V176 A241 E244 A245 S246 C351 M352 G353 E360 L392
Catalytic site (residue number reindexed from 1) V175 A240 E243 A244 S245 C350 M351 G352 E359 L391
Enzyme Commision number 1.14.15.35: 6-deoxyerythronolide B hydroxylase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:1901115 erythromycin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1egy, PDBe:1egy, PDBj:1egy
PDBsum1egy
PubMed10716705
UniProtQ00441|CPXJ_SACEN 6-deoxyerythronolide B hydroxylase (Gene Name=eryF)

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