scPDB - 2gg0 entry

Protein Data Bank Entry:

PDB ID : 2gg0

Resolution :1.280 Å

Experimental Method : X-ray

Deposition Date : 2006-03-23

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:	13.524
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.526	391.500

% Hydrophobic	% Polar
49.14	50.86
According to VolSite

Ligand :

HET Code:	U11
Formula:	C16H21F3N3O5
Molecular weight:	392.350 g/mol
DrugBank ID:	-
Buried Surface Area:	59.45 %
Polar Surface area:	132.37 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	4
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
13.9966	-1.41189	16.6389

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
F29	CB	CYS- 59	4.3	0	Hydrophobic	false
C4	SG	CYS- 59	3.99	0	Hydrophobic	false
F30	CE2	TYR- 62	3.28	0	Hydrophobic	false
F29	CD2	TYR- 62	3.74	0	Hydrophobic	false
F29	CG	TYR- 65	3.71	0	Hydrophobic	false
F31	CD1	TYR- 65	4.24	0	Hydrophobic	false
C2	SG	CYS- 70	3.58	0	Hydrophobic	false
F31	CB	HIS- 79	4.3	0	Hydrophobic	false
N24	OG1	THR- 99	3.11	159.72	H-Bond (Ligand Donor)	false
C37	CB	TYR- 168	4.36	0	Hydrophobic	false
C62	CE1	TYR- 168	4.18	0	Hydrophobic	false
C11	CZ	PHE- 177	3.75	0	Hydrophobic	false
C3	CZ	PHE- 177	3.27	0	Hydrophobic	false
O31	NE2	HIS- 178	2.84	151.35	H-Bond (Protein Donor)	false
F31	CZ3	TRP- 221	3.79	0	Hydrophobic	false