scPDB - 2zjw entry

Protein Data Bank Entry:

PDB ID : 2zjw

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 2008-03-11

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Casein kinase II subunit alpha
ID:	CSK21_HUMAN
AC:	P68400
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

Chains:

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

Ligand binding site composition:

B-Factor:	25.748
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.858	796.500

% Hydrophobic	% Polar
50.85	49.15
According to VolSite

Ligand :

HET Code:	REF
Formula:	C14H6O8
Molecular weight:	302.193 g/mol
DrugBank ID:	DB08846
Buried Surface Area:	51.71 %
Polar Surface area:	133.52 Å2

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

Mass center Coordinates

X	Y	Z
36.9156	-4.57364	9.70218

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
C9	CD1	LEU- 45	3.86	0	Hydrophobic	false
C16	CG1	VAL- 53	4.31	0	Hydrophobic	false
C2	CG1	VAL- 53	4.15	0	Hydrophobic	false
C8	CG2	VAL- 53	3.58	0	Hydrophobic	false
C10	CG1	VAL- 66	3.76	0	Hydrophobic	false
O23	NZ	LYS- 68	2.5	135.5	H-Bond (Protein Donor)	false
C15	CD	LYS- 68	3.56	0	Hydrophobic	false
C14	CB	ILE- 174	4.1	0	Hydrophobic	false
C2	CD1	ILE- 174	3.74	0	Hydrophobic	false
C15	CB	ASP- 175	3.84	0	Hydrophobic	false
O5	O	HOH- 559	3.1	155.27	H-Bond (Protein Donor)	false