scPDB - 3dxm entry

Protein Data Bank Entry:

PDB ID : 3dxm

Resolution :2.850 Å

Experimental Method : X-ray

Deposition Date : 2008-07-24

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Actin-related protein 3
ID:	ARP3_BOVIN
AC:	P61157
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	55.592
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.419	772.875

% Hydrophobic	% Polar
48.47	51.53
According to VolSite

Ligand :

HET Code:	N24
Formula:	C15H11BrClNO2S
Molecular weight:	384.675 g/mol
DrugBank ID:	DB08236
Buried Surface Area:	72.43 %
Polar Surface area:	65.84 Å2

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

Mass center Coordinates

X	Y	Z
13.363	17.9742	52.3132

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
CAT	SG	CYS- 12	3.33	0	Hydrophobic	false
CAO	CG1	ILE- 78	4.13	0	Hydrophobic	false
CAL	CD1	ILE- 78	4.04	0	Hydrophobic	false
CAM	CB	GLU- 84	3.98	0	Hydrophobic	false
CL	CG	GLU- 84	4.01	0	Hydrophobic	false
BRAR	CZ3	TRP- 86	4.35	0	Hydrophobic	false
CL	CE2	TRP- 86	4.21	0	Hydrophobic	false
CAG	CG	MET- 89	4.36	0	Hydrophobic	false
CL	CG	MET- 89	3.91	0	Hydrophobic	false
BRAR	CG	MET- 89	3.97	0	Hydrophobic	false
CAU	CE	MET- 89	3.82	0	Hydrophobic	false
CAM	SD	MET- 89	4.04	0	Hydrophobic	false
CAT	SD	MET- 93	4.28	0	Hydrophobic	false
CAU	CG	MET- 93	3.74	0	Hydrophobic	false
CAT	CD2	LEU- 112	4.11	0	Hydrophobic	false
CAS	CB	LEU- 112	4.48	0	Hydrophobic	false
CAU	CD1	LEU- 112	4.13	0	Hydrophobic	false
SAD	CB	GLU- 114	3.84	0	Hydrophobic	false
OAK	ND2	ASN- 118	3.37	121.18	H-Bond (Protein Donor)	false
BRAR	CG2	THR- 126	4.17	0	Hydrophobic	false
SAD	CG2	THR- 126	4.21	0	Hydrophobic	false
CAH	CB	THR- 126	4.02	0	Hydrophobic	false
CAJ	CG2	THR- 126	3.8	0	Hydrophobic	false
BRAR	CD1	ILE- 129	3.79	0	Hydrophobic	false
SAD	CG2	ILE- 141	4.03	0	Hydrophobic	false