scPDB - 2i0v entry

Protein Data Bank Entry:

PDB ID : 2i0v

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2006-08-11

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Macrophage colony-stimulating factor 1 receptor
ID:	CSF1R_HUMAN
AC:	P07333
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.10.1

Chains:

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

Ligand binding site composition:

B-Factor:	28.100
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.834	344.250

% Hydrophobic	% Polar
55.88	44.12
According to VolSite

Ligand :

HET Code:	6C3
Formula:	C19H13ClN2O2
Molecular weight:	336.772 g/mol
DrugBank ID:	DB07202
Buried Surface Area:	65.63 %
Polar Surface area:	55.13 Å2

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

Mass center Coordinates

X	Y	Z
7.13729	28.2663	7.55337

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
C10	CB	LEU- 588	3.63	0	Hydrophobic	false
CL1	CG1	VAL- 596	4.33	0	Hydrophobic	false
C4	CG2	VAL- 596	3.98	0	Hydrophobic	false
C6	CB	ALA- 614	3.53	0	Hydrophobic	false
C5	CG	LYS- 616	4.46	0	Hydrophobic	false
CL1	CG	LYS- 616	3.79	0	Hydrophobic	false
C6	CG1	VAL- 647	3.98	0	Hydrophobic	false
C6	CB	THR- 663	4.15	0	Hydrophobic	false
N1	O	GLU- 664	3.36	161.45	H-Bond (Ligand Donor)	false
O1	N	CYS- 666	2.74	147.83	H-Bond (Protein Donor)	false
C14	CD1	LEU- 785	3.68	0	Hydrophobic	false
C1	CD2	LEU- 785	3.75	0	Hydrophobic	false
CL1	CD2	PHE- 797	3.9	0	Hydrophobic	false
C13	CB	PHE- 797	4.06	0	Hydrophobic	false
C3	CB	ALA- 800	4.39	0	Hydrophobic	false
C12	CB	ALA- 800	3.49	0	Hydrophobic	false
C12	CD	ARG- 801	4.49	0	Hydrophobic	false