scPDB - 2evc entry

Protein Data Bank Entry:

PDB ID : 2evc

Resolution :1.600 Å

Experimental Method : X-ray

Deposition Date : 2005-10-31

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Methionine aminopeptidase
ID:	MAP1_ECOLI
AC:	P0AE18
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	15.045
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	MN MN

Cavity properties

Ligandability	Volume (Å3)
0.666	472.500

% Hydrophobic	% Polar
47.86	52.14
According to VolSite

Ligand :

HET Code:	FC3
Formula:	C12H6F3O3
Molecular weight:	255.169 g/mol
DrugBank ID:	DB07759
Buried Surface Area:	71.85 %
Polar Surface area:	53.27 Å2

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

Mass center Coordinates

X	Y	Z
-3.25294	-0.686667	8.99122

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
F1	SG	CYS- 59	3.7	0	Hydrophobic	false
F2	CB	CYS- 59	4.08	0	Hydrophobic	false
F2	CB	TYR- 62	3.72	0	Hydrophobic	false
C3	CD2	TYR- 62	3.4	0	Hydrophobic	false
F1	CD2	TYR- 62	3.92	0	Hydrophobic	false
C4	CB	HIS- 63	3.63	0	Hydrophobic	false
C3	CB	TYR- 65	4.46	0	Hydrophobic	false
F2	CG	TYR- 65	3.3	0	Hydrophobic	false
F3	SG	CYS- 70	3.31	0	Hydrophobic	false
F1	CE2	PHE- 177	3.42	0	Hydrophobic	false
OA	NE2	HIS- 178	3.26	131.07	H-Bond (Protein Donor)	false
OB	NE2	HIS- 178	2.78	143	H-Bond (Protein Donor)	false
C3	CZ3	TRP- 221	3.45	0	Hydrophobic	false
OXT	MN	MN- 901	2.1	0	Metal Acceptor	false
OB	MN	MN- 902	2.22	0	Metal Acceptor	false
OXT	MN	MN- 902	2.28	0	Metal Acceptor	false