scPDB - 4fiv entry

Protein Data Bank Entry:

PDB ID : 4fiv

Resolution :1.800 Å

Experimental Method : X-ray

Deposition Date : 1998-07-15

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	POL protein
ID:	Q66972_9RETR
AC:	Q66972
Organism:	Feline immunodeficiency virus
Reign:	Viruses
TaxID:	11673
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	15.849
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.675	340.875

% Hydrophobic	% Polar
53.47	46.53
According to VolSite

Ligand :

HET Code:	LP1
Formula:	C45H58N6O7
Molecular weight:	794.978 g/mol
DrugBank ID:	-
Buried Surface Area:	34.45 %
Polar Surface area:	208.81 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	7
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	20

Mass center Coordinates

X	Y	Z
23.3021	0.400672	25.6805

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
C48	CD	ARG- 13	3.99	0	Hydrophobic	false
C49	CD2	LEU- 28	3.75	0	Hydrophobic	false
N26	O	GLY- 32	3.07	134.81	H-Bond (Ligand Donor)	false
C24	CB	ALA- 33	3.9	0	Hydrophobic	false
C1	CB	ASP- 34	4.24	0	Hydrophobic	false
N4	OD2	ASP- 34	2.65	167.43	H-Bond (Ligand Donor)	false
O18	N	ASP- 34	2.86	172.84	H-Bond (Protein Donor)	false
C24	CG1	ILE- 35	3.87	0	Hydrophobic	false
C23	CD1	ILE- 37	4.27	0	Hydrophobic	false
C25	CG	MET- 56	4.06	0	Hydrophobic	false
O3	N	ILE- 57	3.13	157.33	H-Bond (Protein Donor)	false
N19	O	ILE- 57	3.04	162.68	H-Bond (Ligand Donor)	false
C8	CB	ILE- 57	4.17	0	Hydrophobic	false
C31	CG2	VAL- 59	3.98	0	Hydrophobic	false
C39	CG2	VAL- 59	4.33	0	Hydrophobic	false
C55	CD1	LEU- 97	4.36	0	Hydrophobic	false
C50	CG2	ILE- 98	4	0	Hydrophobic	false
C51	CG2	ILE- 98	3.96	0	Hydrophobic	false
C54	CB	ILE- 98	4.3	0	Hydrophobic	false
C55	CB	ILE- 98	4.25	0	Hydrophobic	false
C49	CB	GLN- 99	3.54	0	Hydrophobic	false
C23	CD1	LEU- 101	4.27	0	Hydrophobic	false
C53	CD2	LEU- 101	3.85	0	Hydrophobic	false