scPDB - 3l70 entry

Protein Data Bank Entry:

PDB ID : 3l70

Resolution :2.750 Å

Experimental Method : X-ray

Deposition Date : 2009-12-27

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_CHICK
AC:	P18946
Organism:	Gallus gallus
Reign:	Eukaryota
TaxID:	9031
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
P	100 %

Ligand binding site composition:

B-Factor:	49.669
Number of residues:	40
Including
Standard Amino Acids:	39
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.790	597.375

% Hydrophobic	% Polar
72.88	27.12
According to VolSite

Ligand :

HET Code:	JZV
Formula:	C20H19F3N2O4
Molecular weight:	408.371 g/mol
DrugBank ID:	-
Buried Surface Area:	72.99 %
Polar Surface area:	69.48 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	0
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
48.4224	143.527	91.1486

Binding mode :

What is Poseview ?

2D View
3D View

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
CBA	CE	MET- 125	3.98	0	Hydrophobic	false
FBC	CB	MET- 125	3.68	0	Hydrophobic	false
CAF	CD1	PHE- 129	3.41	0	Hydrophobic	false
FAO	CG	PHE- 129	4.05	0	Hydrophobic	false
CAP	CE1	PHE- 129	3.49	0	Hydrophobic	false
FBC	CB	PHE- 129	3.37	0	Hydrophobic	false
CAF	CD2	TYR- 132	4.47	0	Hydrophobic	false
CAM	CG	TYR- 132	3.79	0	Hydrophobic	false
CAF	CG2	VAL- 133	3.23	0	Hydrophobic	false
CAB	CG	MET- 139	4.2	0	Hydrophobic	false
CAF	CB	ALA- 144	3.97	0	Hydrophobic	false
CAY	CD1	ILE- 147	3.77	0	Hydrophobic	false
CAP	CG1	ILE- 147	3.28	0	Hydrophobic	false
CAA	CG2	ILE- 269	4.05	0	Hydrophobic	false
CAH	CB	PRO- 271	3.72	0	Hydrophobic	false
CAI	CB	PRO- 271	3.72	0	Hydrophobic	false
CAM	CG	GLU- 272	3.51	0	Hydrophobic	false
OAN	N	GLU- 272	2.91	166.33	H-Bond (Protein Donor)	false
CAM	CE1	TYR- 274	3.7	0	Hydrophobic	false
CAM	CE1	PHE- 275	3.67	0	Hydrophobic	false
CAP	CD1	PHE- 275	4.11	0	Hydrophobic	false
FBC	CZ	PHE- 275	3.65	0	Hydrophobic	false
CAZ	CB	ALA- 278	3.76	0	Hydrophobic	false
CAY	CD1	TYR- 279	3.9	0	Hydrophobic	false
CAY	CD2	LEU- 295	4.26	0	Hydrophobic	false
CAZ	CD1	LEU- 295	3.53	0	Hydrophobic	false