scPDB - 3i1f entry

Protein Data Bank Entry:

PDB ID : 3i1f

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2009-06-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Translation initiation factor 2 subunit gamma
ID:	IF2G_SULSO
AC:	Q980A5
Organism:	Sulfolobus solfataricus
Reign:	Archaea
TaxID:	273057
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	93 %
B	7 %

Ligand binding site composition:

B-Factor:	99.999
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.251	1458.000

% Hydrophobic	% Polar
48.38	51.62
According to VolSite

Ligand :

HET Code:	GCP
Formula:	C11H14N5O13P3
Molecular weight:	517.176 g/mol
DrugBank ID:	DB03725
Buried Surface Area:	53.42 %
Polar Surface area:	326.33 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
38.9888	-50.135	-5.57975

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
O1B	NZ	LYS- 42	3.32	155.35	H-Bond (Protein Donor)	false
O1B	NZ	LYS- 42	3.32	0	Ionic (Protein Cationic)	false
C5'	CD	ARG- 43	3.94	0	Hydrophobic	false
C4'	CE1	PHE- 221	4.45	0	Hydrophobic	false
C1'	CE1	PHE- 221	4.15	0	Hydrophobic	false
C4'	CG1	VAL- 223	4.19	0	Hydrophobic	false
C1'	CG1	VAL- 223	3.66	0	Hydrophobic	false
O3G	NZ	LYS- 225	3.03	132.26	H-Bond (Protein Donor)	false
O3G	NZ	LYS- 225	3.03	0	Ionic (Protein Cationic)	false
C1'	CG2	VAL- 237	3.86	0	Hydrophobic	false
N2	O	ARG- 280	2.95	120.56	H-Bond (Ligand Donor)	false