scPDB - 2ea4 entry

Protein Data Bank Entry:

PDB ID : 2ea4

Resolution :2.350 Å

Experimental Method : X-ray

Deposition Date : 2007-01-30

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Methionine aminopeptidase 2
ID:	MAP2_HUMAN
AC:	P50579
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:	23.244
Number of residues:	32
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	MN MN

Cavity properties

Ligandability	Volume (Å3)
1.011	469.125

% Hydrophobic	% Polar
57.55	42.45
According to VolSite

Ligand :

HET Code:	F79
Formula:	C17H19FN2O5S
Molecular weight:	382.407 g/mol
DrugBank ID:	-
Buried Surface Area:	70.89 %
Polar Surface area:	131.55 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
17.8142	30.0545	17.972

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
C10	CG	PHE- 219	3.71	0	Hydrophobic	false
C11	CE2	PHE- 219	3.45	0	Hydrophobic	false
C23	CB	ALA- 230	4.17	0	Hydrophobic	false
O15	NE2	HIS- 231	3.04	154.25	H-Bond (Protein Donor)	false
F26	CD1	LEU- 328	3.59	0	Hydrophobic	false
C23	CD2	LEU- 328	3.39	0	Hydrophobic	false
C10	CG1	ILE- 338	4.14	0	Hydrophobic	false
C11	CD1	ILE- 338	4.06	0	Hydrophobic	false
C2	CG1	ILE- 338	4.08	0	Hydrophobic	false
C4	CG2	ILE- 338	3.99	0	Hydrophobic	false
C5	CG2	ILE- 338	3.61	0	Hydrophobic	false
C6	CB	HIS- 339	4.04	0	Hydrophobic	false
F26	CZ	PHE- 366	3.58	0	Hydrophobic	false
C8	CB	HIS- 382	4.39	0	Hydrophobic	false
C5	CE	MET- 384	4.13	0	Hydrophobic	false
C7	SD	MET- 384	4.2	0	Hydrophobic	false
C7	CB	ALA- 414	3.96	0	Hydrophobic	false
C8	CG	TYR- 444	3.48	0	Hydrophobic	false
F26	CD1	LEU- 447	4.16	0	Hydrophobic	false
C24	CD1	LEU- 447	3.55	0	Hydrophobic	false
O14	MN	MN- 481	2.12	0	Metal Acceptor	false