scPDB - 3d45 entry

Protein Data Bank Entry:

PDB ID : 3d45

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 2008-05-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Poly(A)-specific ribonuclease PARN
ID:	PARN_MOUSE
AC:	Q8VDG3
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	3.1.13.4

Chains:

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

Ligand binding site composition:

B-Factor:	69.573
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.841	739.125

% Hydrophobic	% Polar
50.68	49.32
According to VolSite

Ligand :

HET Code:	GDP
Formula:	C10H12N5O11P2
Molecular weight:	440.177 g/mol
DrugBank ID:	DB04315
Buried Surface Area:	48.74 %
Polar Surface area:	276.39 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
5.98739	13.7503	18.5224

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
C2'	CD1	ILE- 34	4.18	0	Hydrophobic	false
O2A	NE2	HIS- 280	2.89	152.48	H-Bond (Protein Donor)	false
O5'	ND2	ASN- 281	3.13	141.45	H-Bond (Protein Donor)	false
C4'	CB	ASN- 281	4.23	0	Hydrophobic	false
N3	OD1	ASN- 281	3.48	127.34	H-Bond (Ligand Donor)	false
C1'	CD1	LEU- 284	4.18	0	Hydrophobic	false
O3B	NZ	LYS- 319	2.73	134.92	H-Bond (Protein Donor)	false
O3B	NZ	LYS- 319	2.73	0	Ionic (Protein Cationic)	false
O2B	OG	SER- 335	3.45	153.33	H-Bond (Protein Donor)	false
O1A	N	LEU- 336	3.32	174.92	H-Bond (Protein Donor)	false
O6	NH2	ARG- 419	3.36	154.74	H-Bond (Protein Donor)	false
N2	O	HOH- 902	3.15	152.12	H-Bond (Ligand Donor)	false