scPDB - 2fyu entry

Protein Data Bank Entry:

PDB ID : 2fyu

Resolution :2.260 Å

Experimental Method : X-ray

Deposition Date : 2006-02-08

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Cytochrome b
ID:	CYB_BOVIN
AC:	P00157
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
C	96 %
E	4 %

Ligand binding site composition:

B-Factor:	20.564
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.487	313.875

% Hydrophobic	% Polar
80.65	19.35
According to VolSite

Ligand :

HET Code:	FDN
Formula:	C16H12F2N2O3
Molecular weight:	318.275 g/mol
DrugBank ID:	DB07763
Buried Surface Area:	80.25 %
Polar Surface area:	58.64 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
69.3252	57.486	167.167

Binding mode :

What is Poseview ?

2D View
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Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
F11	CB	MET- 124	3.34	0	Hydrophobic	false
C9	CB	ALA- 127	4.43	0	Hydrophobic	false
F13	CD2	PHE- 128	4.32	0	Hydrophobic	false
C9	CB	PHE- 128	3.91	0	Hydrophobic	false
C7	CB	TYR- 131	3.62	0	Hydrophobic	false
C26	CE	MET- 138	3.57	0	Hydrophobic	false
C24	CG1	VAL- 145	3.72	0	Hydrophobic	false
C22	CG1	ILE- 146	3.81	0	Hydrophobic	false
C23	CD1	ILE- 146	3.74	0	Hydrophobic	false
F13	CD1	ILE- 146	3.33	0	Hydrophobic	false
C25	CG2	ILE- 268	3.73	0	Hydrophobic	false
C24	CG	PRO- 270	3.94	0	Hydrophobic	false
C7	CG	GLU- 271	3.8	0	Hydrophobic	false
O6	N	GLU- 271	3.07	126.41	H-Bond (Protein Donor)	false
C7	CZ	TYR- 273	4.1	0	Hydrophobic	false
C9	CE2	TYR- 273	3.48	0	Hydrophobic	false
F13	CD1	PHE- 274	3.52	0	Hydrophobic	false
F11	CD2	PHE- 274	3.75	0	Hydrophobic	false
C12	CB	PHE- 274	4.26	0	Hydrophobic	false