scPDB - 4r2m entry

Protein Data Bank Entry:

PDB ID : 4r2m

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2014-08-12

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Universal stress protein F
ID:	USPF_SALTY
AC:	P67091
Organism:	Salmonella typhimurium
Reign:	Bacteria
TaxID:	99287
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	36.399
Number of residues:	33
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.497	546.750

% Hydrophobic	% Polar
49.38	50.62
According to VolSite

Ligand :

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	57.93 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
-41.2998	-31.0843	3.47068

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
O2'	O	PRO- 8	3.12	132.44	H-Bond (Ligand Donor)	false
C2'	CB	ASP- 10	4.37	0	Hydrophobic	false
N6	O	VAL- 40	2.75	159.43	H-Bond (Ligand Donor)	false
N1	N	VAL- 40	3.1	142.49	H-Bond (Protein Donor)	false
C2'	CG1	ILE- 113	4.3	0	Hydrophobic	false
C1'	CD1	ILE- 113	3.85	0	Hydrophobic	false
O2B	CZ	ARG- 117	4	0	Ionic (Protein Cationic)	false
O1A	CZ	ARG- 117	3.6	0	Ionic (Protein Cationic)	false
O2B	NH1	ARG- 117	2.96	124.26	H-Bond (Protein Donor)	false
O2A	N	ARG- 117	2.75	139.03	H-Bond (Protein Donor)	false
O1B	N	SER- 127	3.17	164.36	H-Bond (Protein Donor)	false
C1'	CB	ASN- 128	4.19	0	Hydrophobic	false
O1A	MG	MG- 201	1.84	0	Metal Acceptor	false
O1G	O	HOH- 325	2.87	122.1	H-Bond (Protein Donor)	false