scPDB - 2fgh entry

Protein Data Bank Entry:

PDB ID : 2fgh

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2005-12-22

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Gelsolin
ID:	GELS_HORSE
AC:	Q28372
Organism:	Equus caballus
Reign:	Eukaryota
TaxID:	9796
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	77.565
Number of residues:	25
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.886	1478.250

% Hydrophobic	% Polar
38.36	61.64
According to VolSite

Ligand :

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	56.55 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
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
45.2786	84.8403	54.6151

Binding mode :

What is Poseview ?

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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
O3'	OD1	ASN- 368	3.3	175.22	H-Bond (Ligand Donor)	false
O2'	O	TRP- 369	2.82	156.03	H-Bond (Ligand Donor)	false
O1B	NH2	ARG- 370	3.31	152.97	H-Bond (Protein Donor)	false
O2A	NH1	ARG- 370	3.26	165.75	H-Bond (Protein Donor)	false
O2A	CZ	ARG- 370	3.94	0	Ionic (Protein Cationic)	false
O1G	NZ	LYS- 503	2.85	0	Ionic (Protein Cationic)	false
O2G	NZ	LYS- 503	3.71	0	Ionic (Protein Cationic)	false
O1G	CZ	ARG- 542	3.87	0	Ionic (Protein Cationic)	false
O3G	CZ	ARG- 542	3.61	0	Ionic (Protein Cationic)	false
O2B	CZ	ARG- 542	3.98	0	Ionic (Protein Cationic)	false
O1G	NH1	ARG- 542	3.01	151	H-Bond (Protein Donor)	false
O3G	NH2	ARG- 542	2.81	175.19	H-Bond (Protein Donor)	false
O2B	NE	ARG- 629	2.75	123.75	H-Bond (Protein Donor)	false
O2B	CZ	ARG- 629	3.98	0	Ionic (Protein Cationic)	false
C5'	CD2	LEU- 630	3.96	0	Hydrophobic	false
C1'	CD2	LEU- 630	4.45	0	Hydrophobic	false