scPDB - 2p98 entry

Protein Data Bank Entry:

PDB ID : 2p98

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2007-03-24

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:	18.574
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MN

Cavity properties

Ligandability	Volume (Å3)
0.444	327.375

% Hydrophobic	% Polar
47.42	52.58
According to VolSite

Ligand :

HET Code:	YE7
Formula:	C12H11N4O
Molecular weight:	227.242 g/mol
DrugBank ID:	DB08758
Buried Surface Area:	72.02 %
Polar Surface area:	73.67 Å2

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

Mass center Coordinates

X	Y	Z
-2.71865	-0.0115882	9.16324

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
CAA	CB	HIS- 63	4.11	0	Hydrophobic	false
CAF	CB	TYR- 65	4.31	0	Hydrophobic	false
NAO	OD2	ASP- 97	2.54	121.48	H-Bond (Ligand Donor)	false
NAN	NE2	HIS- 178	3.22	129.88	H-Bond (Protein Donor)	false
OAQ	NE2	HIS- 178	3.34	141.31	H-Bond (Protein Donor)	false
CAF	CZ3	TRP- 221	3.31	0	Hydrophobic	false
NAP	OE1	GLU- 235	2.54	133.45	H-Bond (Ligand Donor)	false
OAQ	MN	MN- 264	2.11	0	Metal Acceptor	false