scPDB - 1lev entry

Protein Data Bank Entry:

PDB ID : 1lev

Resolution :2.150 Å

Experimental Method : X-ray

Deposition Date : 2002-04-10

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Fructose-1,6-bisphosphatase 1
ID:	F16P1_PIG
AC:	P00636
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	3.1.3.11

Chains:

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

Ligand binding site composition:

B-Factor:	40.910
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.544	479.250

% Hydrophobic	% Polar
69.72	30.28
According to VolSite

Ligand :

HET Code:	CLI
Formula:	C12H7Cl2NO4
Molecular weight:	300.094 g/mol
DrugBank ID:	DB04175
Buried Surface Area:	66.3 %
Polar Surface area:	96.05 Å2

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

Mass center Coordinates

X	Y	Z
5.76142	29.1716	10.2756

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
CL17	CE1	PHE- 16	3.49	0	Hydrophobic	false
CL17	CG1	VAL- 17	3.29	0	Hydrophobic	false
C8	CB	VAL- 17	4.13	0	Hydrophobic	false
C13	CB	GLU- 20	3.54	0	Hydrophobic	false
C12	CE	MET- 30	4	0	Hydrophobic	false
C3	CG	MET- 30	3.57	0	Hydrophobic	false
CL17	CD1	LEU- 34	4.26	0	Hydrophobic	false
C12	CZ	TYR- 113	4.05	0	Hydrophobic	false
O19	CZ	ARG- 140	3.29	0	Ionic (Protein Cationic)	false
O19	NH1	ARG- 140	2.78	139.32	H-Bond (Protein Donor)	false
O19	NH2	ARG- 140	3.04	129.74	H-Bond (Protein Donor)	false
O18	NH1	ARG- 140	3.28	155.53	H-Bond (Protein Donor)	false
CL10	CG1	VAL- 160	3.54	0	Hydrophobic	false
C6	CG1	VAL- 160	3.6	0	Hydrophobic	false
CL10	CB	ALA- 161	4.06	0	Hydrophobic	false
CL17	CD2	LEU- 175	3.93	0	Hydrophobic	false
CL10	CB	MET- 177	3.54	0	Hydrophobic	false
C4	CE	MET- 177	3.57	0	Hydrophobic	false
C9	CE	MET- 177	3.36	0	Hydrophobic	false