scPDB - 3l71 entry

Protein Data Bank Entry:

PDB ID : 3l71

Resolution :2.840 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
C	100 %

Ligand binding site composition:

B-Factor:	43.902
Number of residues:	40
Including
Standard Amino Acids:	39
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.921	573.750

% Hydrophobic	% Polar
79.41	20.59
According to VolSite

Ligand :

HET Code:	AZO
Formula:	C22H17N3O5
Molecular weight:	403.387 g/mol
DrugBank ID:	DB07401
Buried Surface Area:	75.59 %
Polar Surface area:	103.56 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	0
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
8.4585	130.948	81.5589

Binding mode :

What is Poseview ?

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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
C5	CE	MET- 125	3.71	0	Hydrophobic	false
C21	CD1	PHE- 129	3.38	0	Hydrophobic	false
C22	CE1	PHE- 129	3.2	0	Hydrophobic	false
C20	CB	TYR- 132	3.86	0	Hydrophobic	false
C21	CD2	TYR- 132	3.23	0	Hydrophobic	false
C22	CD2	TYR- 132	4.2	0	Hydrophobic	false
C22	CG2	VAL- 133	3.29	0	Hydrophobic	false
C15	CG	MET- 139	3.99	0	Hydrophobic	false
C22	CB	ALA- 144	4	0	Hydrophobic	false
C9	CD1	ILE- 147	3.74	0	Hydrophobic	false
C13	CG1	ILE- 147	3.63	0	Hydrophobic	false
C14	CG2	ILE- 269	3.88	0	Hydrophobic	false
C12	CB	PRO- 271	3.73	0	Hydrophobic	false
O3	N	GLU- 272	3.08	155.79	H-Bond (Protein Donor)	false
C20	CG	GLU- 272	3.65	0	Hydrophobic	false
C20	CE1	TYR- 274	3.56	0	Hydrophobic	false
C20	CE1	PHE- 275	3.75	0	Hydrophobic	false
C5	CB	ALA- 278	3.71	0	Hydrophobic	false
C3	CG	LEU- 295	3.38	0	Hydrophobic	false
C4	CD1	LEU- 295	3.71	0	Hydrophobic	false
C4	CG2	VAL- 299	3.54	0	Hydrophobic	false