scPDB - 4lt6 entry

Protein Data Bank Entry:

PDB ID : 4lt6

Resolution :2.790 Å

Experimental Method : X-ray

Deposition Date : 2013-07-23

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Poly(A) polymerase gamma
ID:	PAPOG_HUMAN
AC:	Q9BWT3
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.7.19

Chains:

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

Ligand binding site composition:

B-Factor:	15.443
Number of residues:	34
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	CA

Cavity properties

Ligandability	Volume (Å3)
1.147	945.000

% Hydrophobic	% Polar
51.07	48.93
According to VolSite

Ligand :

HET Code:	3AT
Formula:	C10H12N5O12P3
Molecular weight:	487.150 g/mol
DrugBank ID:	DB01860
Buried Surface Area:	45.79 %
Polar Surface area:	299.64 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	2
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
-30.9637	-10.1571	-10.2654

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'	CD2	PHE- 99	4.22	0	Hydrophobic	false
C1'	CE2	PHE- 99	4.05	0	Hydrophobic	false
C4'	CE2	PHE- 99	3.42	0	Hydrophobic	false
O1B	N	SER- 101	3.1	160.23	H-Bond (Protein Donor)	false
C4'	CB	ASP- 114	4.27	0	Hydrophobic	false
O3G	NZ	LYS- 227	3.39	159.36	H-Bond (Protein Donor)	false
O3G	NZ	LYS- 227	3.39	0	Ionic (Protein Cationic)	false
O2G	OH	TYR- 236	2.54	153.83	H-Bond (Protein Donor)	false
C2'	CG2	VAL- 246	3.63	0	Hydrophobic	false
N1	OG1	THR- 316	3.15	138.31	H-Bond (Protein Donor)	false
O1G	CA	CA- 602	2.33	0	Metal Acceptor	false
O1B	CA	CA- 602	2.38	0	Metal Acceptor	false