scPDB - 4a4z entry

Protein Data Bank Entry:

PDB ID : 4a4z

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 2011-10-20

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Antiviral helicase SKI2
ID:	SKI2_YEAST
AC:	P35207
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	3.6.4.13

Chains:

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

Ligand binding site composition:

B-Factor:	62.417
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.359	698.625

% Hydrophobic	% Polar
41.06	58.94
According to VolSite

Ligand :

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	50.76 %
Polar Surface area:	322.68 Å2

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

Mass center Coordinates

X	Y	Z
61.9343	22.4922	47.7044

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
DuAr	DuAr	PHE- 328	3.41	0	Aromatic Face/Face	false
N6	O	GLU- 329	3.22	148.67	H-Bond (Ligand Donor)	false
N6	OE1	GLN- 334	2.72	144.68	H-Bond (Ligand Donor)	false
O1B	N	SER- 354	3.42	154.06	H-Bond (Protein Donor)	false
O2B	N	SER- 354	2.71	131.06	H-Bond (Protein Donor)	false
O2G	NZ	LYS- 357	2.84	127.58	H-Bond (Protein Donor)	false
O1B	NZ	LYS- 357	3.02	156.59	H-Bond (Protein Donor)	false
O3A	N	LYS- 357	3.1	144.4	H-Bond (Protein Donor)	false
O2G	NZ	LYS- 357	2.84	0	Ionic (Protein Cationic)	false
O1B	NZ	LYS- 357	3.02	0	Ionic (Protein Cationic)	false
O1A	N	THR- 358	3.46	141.3	H-Bond (Protein Donor)	false
O1A	OG1	THR- 358	2.79	151.48	H-Bond (Protein Donor)	false
O1G	NH1	ARG- 763	2.86	127.78	H-Bond (Protein Donor)	false
O1G	CZ	ARG- 763	3.99	0	Ionic (Protein Cationic)	false
C1'	CD	ARG- 767	4.44	0	Hydrophobic	false
DuAr	CZ	ARG- 767	3.6	14.27	Pi/Cation	false