scPDB - 3slz entry

Protein Data Bank Entry:

PDB ID : 3slz

Resolution :1.400 Å

Experimental Method : X-ray

Deposition Date : 2011-06-27

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Putative gag-pro-pol polyprotein
ID:	Q9E7M1_9GAMR
AC:	Q9E7M1
Organism:	DG-75 Murine leukemia virus
Reign:	Viruses
TaxID:	114654
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	51 %
B	49 %

Ligand binding site composition:

B-Factor:	13.939
Number of residues:	58
Including
Standard Amino Acids:	53
Non Standard Amino Acids:	0
Water Molecules:	5
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.453	853.875

% Hydrophobic	% Polar
42.69	57.31
According to VolSite

Ligand :

HET Code:	3TL
Formula:	C50H64N6O10
Molecular weight:	909.077 g/mol
DrugBank ID:	-
Buried Surface Area:	62.18 %
Polar Surface area:	233.51 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	8
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	4
Rotatable Bonds:	25

Mass center Coordinates

X	Y	Z
-4.20591	3.68539	10.3919

Binding mode :

What is Poseview ?

2D View
3D View

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
C55	CD2	LEU- 30	3.99	0	Hydrophobic	false
O51	OD1	ASP- 32	2.54	152.53	H-Bond (Ligand Donor)	false
O51	OD2	ASP- 32	3.07	133.51	H-Bond (Ligand Donor)	false
O51	OD1	ASP- 32	2.76	169.18	H-Bond (Protein Donor)	false
N1	O	GLY- 34	2.92	176.36	H-Bond (Ligand Donor)	false
N51	O	GLY- 34	2.95	162.11	H-Bond (Ligand Donor)	false
CG1	CB	ALA- 35	4.03	0	Hydrophobic	false
CG6	CB	ALA- 35	4.12	0	Hydrophobic	false
CG5	CB	ALA- 35	4.47	0	Hydrophobic	false
N4	OE1	GLN- 36	3.11	160.12	H-Bond (Ligand Donor)	false
N54	OE1	GLN- 36	3.11	151	H-Bond (Ligand Donor)	false
O4	N	GLN- 36	2.88	158.79	H-Bond (Protein Donor)	false
O54	N	GLN- 36	2.99	153.84	H-Bond (Protein Donor)	false
C67	CG	GLN- 36	3.99	0	Hydrophobic	false
C67	CB	HIS- 37	3.69	0	Hydrophobic	false
CG1	CG2	VAL- 39	4.48	0	Hydrophobic	false
CG6	CG2	VAL- 39	4.44	0	Hydrophobic	false
C13	CB	ALA- 52	3.55	0	Hydrophobic	false
C63	CB	ALA- 52	3.85	0	Hydrophobic	false
CG2	CG1	VAL- 54	3.83	0	Hydrophobic	false
CG5	CG1	VAL- 54	3.98	0	Hydrophobic	false
O8	N	GLN- 55	2.9	151.56	H-Bond (Protein Donor)	false
O58	N	GLN- 55	2.82	159.98	H-Bond (Protein Donor)	false
N2	O	GLN- 55	2.95	170.04	H-Bond (Ligand Donor)	false
N52	O	GLN- 55	2.86	164.66	H-Bond (Ligand Donor)	false
C6	CG	GLN- 55	3.77	0	Hydrophobic	false
C5	CB	ALA- 57	4.17	0	Hydrophobic	false
CG1	CB	ALA- 57	3.96	0	Hydrophobic	false
C59	CB	ALA- 57	4.12	0	Hydrophobic	false
CG6	CB	ALA- 57	3.85	0	Hydrophobic	false
CA	CD1	LEU- 83	4.46	0	Hydrophobic	false
C13	CD1	LEU- 83	4.45	0	Hydrophobic	false
CG5	CD1	LEU- 83	4.38	0	Hydrophobic	false
C58	SG	CYS- 88	3.84	0	Hydrophobic	false
C6	CG	PRO- 89	3.95	0	Hydrophobic	false
C8	CG	PRO- 89	3.34	0	Hydrophobic	false
C57	CG	PRO- 89	3.77	0	Hydrophobic	false
CG1	CD1	LEU- 92	3.47	0	Hydrophobic	false
C3	CD1	LEU- 92	3.77	0	Hydrophobic	false
C9	CD2	LEU- 92	4.49	0	Hydrophobic	false
C53	CD1	LEU- 92	3.96	0	Hydrophobic	false
C59	CD1	LEU- 92	4.39	0	Hydrophobic	false
CG6	CD1	LEU- 92	3.44	0	Hydrophobic	false
C55	CD2	LEU- 92	4.09	0	Hydrophobic	false
O4	O	HOH- 138	3.2	122.76	H-Bond (Protein Donor)	false
O54	O	HOH- 139	3.24	156.88	H-Bond (Protein Donor)	false