scPDB - 1l0l entry

Protein Data Bank Entry:

PDB ID : 1l0l

Resolution :2.350 Å

Experimental Method : X-ray

Deposition Date : 2002-02-11

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	100 %

Ligand binding site composition:

B-Factor:	24.143
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.715	391.500

% Hydrophobic	% Polar
81.90	18.10
According to VolSite

Ligand :

HET Code:	FMX
Formula:	C22H18N2O4
Molecular weight:	374.389 g/mol
DrugBank ID:	DB07778
Buried Surface Area:	76.3 %
Polar Surface area:	67.87 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
69.2559	56.9335	166.023

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
C16	CG	MET- 124	3.72	0	Hydrophobic	false
C19	SD	MET- 124	3.71	0	Hydrophobic	false
C12	CB	ALA- 127	4.34	0	Hydrophobic	false
C12	CB	PHE- 128	3.78	0	Hydrophobic	false
C5	CD2	TYR- 131	4.24	0	Hydrophobic	false
C7	CG	TYR- 131	3.54	0	Hydrophobic	false
C26	CE	MET- 138	3.48	0	Hydrophobic	false
C23	CB	VAL- 145	3.86	0	Hydrophobic	false
C22	CD1	ILE- 146	3.47	0	Hydrophobic	false
C9	CD1	ILE- 146	3.31	0	Hydrophobic	false
C25	CD1	ILE- 268	3.62	0	Hydrophobic	false
C21	CB	PRO- 270	4.26	0	Hydrophobic	false
C25	CG	PRO- 270	3.59	0	Hydrophobic	false
O6	N	GLU- 271	2.57	161.68	H-Bond (Protein Donor)	false
C5	CB	GLU- 271	4.38	0	Hydrophobic	false
C7	CG	GLU- 271	3.57	0	Hydrophobic	false
C7	CZ	TYR- 273	4.07	0	Hydrophobic	false
C17	CD1	PHE- 274	3.36	0	Hydrophobic	false
C16	CB	PHE- 274	4.11	0	Hydrophobic	false
C10	CG	PHE- 274	3.34	0	Hydrophobic	false
C18	CB	ALA- 277	3.73	0	Hydrophobic	false
C18	CD1	ILE- 298	3.62	0	Hydrophobic	false
C19	CG1	ILE- 298	4.09	0	Hydrophobic	false