Structure of PDB 5egf Chain B Binding Site BS01

Receptor Information
>5egf Chain B (length=443) Species: 36650 (Penicillium aethiopicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPFSLSPIKDPQALHAALCSKNVIPVTSTLEDLLPATQAQHVFIKRGTFH
SYNWTIKGRSLNMDRLRETCQSLVDRHSILRTSFVEHEGHPIQLVLANLD
VKVREVQCWPGEDPMEVCKALWDGKDWPTLNVLGGSLPVRFTLVSCPGNE
HVVLTIQISHSQWDGVSIPKLFSDFAAIYNQTPLPPTSDFAHYLYHRVSS
AREDVQQDPTFQFWRHYLDGAKMAVPFAPRASGQTLWTFKGIVPPTLPSG
ITMATLVKAATALFLSYHLGSRDVVFGHTVNGRNLPMDNIESLLGCTLNF
VPLRVTFPEDSTDWTVMDLLHHTQTQYTRALSHEHVELRDIFQHSTNWPA
ETPLSLIVQHQNIDLSFSLPLSSLDVQYSKFARFDPLDEVWIFTEPHADR
LEVQVCANSRVLGQEQATELANNISAIITKFSTDPTARLLDIT
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain5egf Chain B Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5egf Structural basis of nonribosomal peptide macrocyclization in fungi
Resolution2.29 Å
Binding residue
(original residue number in PDB)		V244 P245 F246 V454 L455
Binding residue
(residue number reindexed from 1)		V225 P226 F227 V411 L412
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:5egf, PDBe:5egf, PDBj:5egf
PDBsum5egf
PubMed27748753
UniProtF1CWE4

[Back to BioLiP]