scPDB - 1om1 entry

Protein Data Bank Entry:

PDB ID : 1om1

Resolution :1.680 Å

Experimental Method : X-ray

Deposition Date : 2003-02-24

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:	CSK2A_MAIZE
AC:	P28523
Organism:	Zea mays
Reign:	Eukaryota
TaxID:	4577
EC Number:	2.7.11.1

Chains:

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

Ligand binding site composition:

B-Factor:	25.994
Number of residues:	31
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.164	1069.875

% Hydrophobic	% Polar
46.69	53.31
According to VolSite

Ligand :

HET Code:	IQA
Formula:	C17H11N2O3
Molecular weight:	291.281 g/mol
DrugBank ID:	DB01765
Buried Surface Area:	67.99 %
Polar Surface area:	74.16 Å2

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

Mass center Coordinates

X	Y	Z
22.4552	7.51118	18.688

Binding mode :

What is Poseview ?

2D View
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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
C16	CB	VAL- 45	3.7	0	Hydrophobic	false
C15	CG2	VAL- 45	4.06	0	Hydrophobic	false
C12	CG2	VAL- 45	3.8	0	Hydrophobic	false
C18	CG2	VAL- 53	3.89	0	Hydrophobic	false
C13	CG1	VAL- 53	4.26	0	Hydrophobic	false
C14	CD1	ILE- 66	4.09	0	Hydrophobic	false
C3	CG1	ILE- 66	3.38	0	Hydrophobic	false
C4	CG2	ILE- 66	3.78	0	Hydrophobic	false
O21	NZ	LYS- 68	3.92	0	Ionic (Protein Cationic)	false
O22	NZ	LYS- 68	2.5	0	Ionic (Protein Cationic)	false
O22	NZ	LYS- 68	2.5	147.58	H-Bond (Protein Donor)	false
C18	CD	LYS- 68	4.35	0	Hydrophobic	false
C2	CG2	VAL- 95	4.08	0	Hydrophobic	false
C1	CG2	VAL- 95	3.94	0	Hydrophobic	false
C1	CB	PHE- 113	3.53	0	Hydrophobic	false
C2	CG2	VAL- 116	3.53	0	Hydrophobic	false
C3	CB	VAL- 116	3.71	0	Hydrophobic	false
C15	CB	ASN- 118	3.7	0	Hydrophobic	false
C7	CG	MET- 163	4.41	0	Hydrophobic	false
C13	SD	MET- 163	3.58	0	Hydrophobic	false
C18	CD1	ILE- 174	3.74	0	Hydrophobic	false
C4	CG2	ILE- 174	3.83	0	Hydrophobic	false
O21	N	ASP- 175	2.99	144.73	H-Bond (Protein Donor)	false
C18	CB	ASP- 175	4.48	0	Hydrophobic	false
O21	O	HOH- 356	3.19	179.98	H-Bond (Protein Donor)	false