scPDB - 1zzl entry

Protein Data Bank Entry:

PDB ID : 1zzl

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2005-06-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Mitogen-activated protein kinase 14
ID:	MK14_HUMAN
AC:	Q16539
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	33.619
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.163	442.125

% Hydrophobic	% Polar
64.89	35.11
According to VolSite

Ligand :

HET Code:	TZY
Formula:	C18H15FN4O
Molecular weight:	322.336 g/mol
DrugBank ID:	DB04797
Buried Surface Area:	74.55 %
Polar Surface area:	56.22 Å2

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

Mass center Coordinates

X	Y	Z
2.39854	11.5855	30.7625

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
C23	CE2	TYR- 35	3.88	0	Hydrophobic	false
C24	CZ	TYR- 35	3.33	0	Hydrophobic	false
C10	CG2	VAL- 38	4.49	0	Hydrophobic	false
C10	CB	ALA- 51	4.29	0	Hydrophobic	false
N6	NZ	LYS- 53	3	166.45	H-Bond (Protein Donor)	false
C5	CE	LYS- 53	4.05	0	Hydrophobic	false
C10	CB	LYS- 53	3.74	0	Hydrophobic	false
C15	CD1	LEU- 75	3.97	0	Hydrophobic	false
C15	CG2	ILE- 84	4.13	0	Hydrophobic	false
F22	CD2	LEU- 86	3.72	0	Hydrophobic	false
F22	CB	LEU- 104	3.25	0	Hydrophobic	false
F22	CB	THR- 106	3.61	0	Hydrophobic	false
C18	CG2	THR- 106	3.57	0	Hydrophobic	false
N19	N	MET- 109	2.86	171.59	H-Bond (Protein Donor)	false
N20	N	MET- 109	3.32	140.58	H-Bond (Protein Donor)	false
N20	N	GLY- 110	3.25	172.41	H-Bond (Protein Donor)	false
C24	CB	ASP- 112	4.11	0	Hydrophobic	false
C24	CB	ALA- 157	4.29	0	Hydrophobic	false
C24	CD1	LEU- 167	4.41	0	Hydrophobic	false