Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Structure of PDB 6bka Chain A Binding Site BS02

Receptor Information
>6bka Chain A (length=374) Species: 1004253 (Cyberlindnera mrakii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRSQIQSFLKTFEVRYPIIQAPMAGASTLELAATVTRLGGIGSIPMGSLS
EKCDAIETQLENFDELVGDSGRIVNLNFFAHKEPRSGRADVNEEWLKKYD
KIYGKAGIEFDKKELKLLYPSFRSIVDPQHPTVRLLKNLKPKIVSFHFGL
PHEAVIESLQASDIKIFVTVTNLQEFQQAYESKLDGVVLQGWEAGGHRGN
FKANDVEDGQLKTLDLVSTIVDYIDSASISNPPFIIAAGGIHDDESIKEL
LQFNIAAVQLGTVWLPSSQATISPEHLKMFQSPKSDTMMTAAISGRNLRT
ISTPFLRDLHQSSPLASIPDYPLPYDSFKSLANDAKQSGKGPQYSAFLAG
SNYHKSWKDTRSTEEIFSILVQDL
Ligand information
Ligand ID33O
InChIInChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
InChIKeyAKWFJQNBHYVIPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.9.2C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
CACTVS 3.385OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
FormulaC26 H54 O14
Name3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol;
Tridecaethyleneglycol
ChEMBL
DrugBank
ZINCZINC000100008458
PDB chain6bka Chain A Residue 402 [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]
PDB6bka Crystal structure of yeast nitronate monooxygenase from Cyberlindnera saturnus.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T34 R37 V67 D69
Binding residue
(residue number reindexed from 1)		T34 R37 V67 D69
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.12.16: nitronate monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0018580 nitronate monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6bka, PDBe:6bka, PDBj:6bka
PDBsum6bka
PubMed29383742
UniProtQ12723|2NPD_CYBMR Nitronate monooxygenase

[Back to BioLiP]

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417