scPDB - 4h0n entry

Protein Data Bank Entry:

PDB ID : 4h0n

Resolution :2.710 Å

Experimental Method : X-ray

Deposition Date : 2012-09-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Dnmt2
ID:	L7MTK8_SPOFR
AC:	L7MTK8
Organism:	Spodoptera frugiperda
Reign:	Eukaryota
TaxID:	7108
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	40.323
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.946	975.375

% Hydrophobic	% Polar
43.25	56.75
According to VolSite

Ligand :

HET Code:	SAH
Formula:	C14H20N6O5S
Molecular weight:	384.411 g/mol
DrugBank ID:	DB01752
Buried Surface Area:	68.13 %
Polar Surface area:	212.38 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
149.194	107.019	158.83

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
CB	CB	TYR- 9	4.49	0	Hydrophobic	false
C1'	CD2	TYR- 9	4.39	0	Hydrophobic	false
C5'	CB	TYR- 9	3.8	0	Hydrophobic	false
C1'	CG1	ILE- 34	4.33	0	Hydrophobic	false
N3	N	ILE- 34	3.18	137.75	H-Bond (Protein Donor)	false
N6	OD1	ASN- 55	3.41	138.22	H-Bond (Ligand Donor)	false
N1	N	ILE- 56	3.11	132.33	H-Bond (Protein Donor)	false
N	OG	SER- 75	3.11	128.86	H-Bond (Ligand Donor)	false
CG	CB	SER- 75	4.11	0	Hydrophobic	false
C5'	CG	PRO- 77	3.47	0	Hydrophobic	false
C3'	CG	PRO- 77	3.74	0	Hydrophobic	false
N	O	ASN- 316	2.87	175.49	H-Bond (Ligand Donor)	false
SD	CB	ASN- 316	3.77	0	Hydrophobic	false
OXT	OG	SER- 317	3.18	167.57	H-Bond (Protein Donor)	false