Structure of PDB 5awv Chain C Binding Site BS05

Receptor Information
>5awv Chain C (length=498) Species: 93944 (Nonomuraea gerenzanensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CLPPAGPVKVTPDDPRYLNLKLRGANSRFNGEPDYIHLVGSTQQVADAVE
ETVRTGKRVAVRSGGHCFEDFVDNPDVKVIIDMSLLTEIAYDPSMNAFLI
EPGNTLSEVYEKLYLGWNVTIPGGVCGGVGVGGHICGGGYGPLSRQFGSV
VDYLYAVEVVVVNKQGKARVIVATRERDDPHHDLWWAHTGGGGGNFGVVT
KYWMRVPEDVGRNPERLLPKPPATLLTSTVTFDWAGMTEAAFSRLLRNHG
EWYERNSGPDSPYTGLWSQLMIGNEVPGMGESGFMMPIQVDATRPDARRL
LDAHIEAVIDGVPPAEVPEPIEQRWLASTPGRGGRGPASKTKAGYLRKRL
TDRQIQAVYENMTHMDGIDYGAVWLIGYGGKVNTVDPAATALPQRDAILK
VNYITGWANPGNEAKHLTWVRKLYADVYAETGGVPVPNDVSDGAYINYPD
SDLADPGLNTSGVPWHDLYYKGNHPRLRKVKAAYDPRNHFHHALSIRP
Ligand information
Ligand IDT55
InChIInChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyOAOABCKPVCUNKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCCCCCC(O)=O
ACDLabs 10.04O=C(N)CCCCCCC(C)C
OpenEye OEToolkits 1.6.1CC(C)CCCCCCC(=O)O
FormulaC10 H20 O2
Name8-METHYLNONANOIC ACID
ChEMBL
DrugBank
ZINCZINC000002043770
PDB chain5awv Chain M Residue 101 [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]
PDB5awv Interception of teicoplanin oxidation intermediates yields new antimicrobial scaffolds.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		M304 D394 Y395 G431 W432
Binding residue
(residue number reindexed from 1)		M279 D369 Y370 G406 W407
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
GO:0016746 acyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:5awv, PDBe:5awv, PDBj:5awv
PDBsum5awv
PubMed21478878
UniProtQ7WZ62

[Back to BioLiP]