scPDB - 1rt7 entry

Protein Data Bank Entry:

PDB ID : 1rt7

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 1998-07-29

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Gag-Pol polyprotein
ID:	POL_HV1H2
AC:	P04585
Organism:	Human immunodeficiency virus type 1 group M subtype B
Reign:	Viruses
TaxID:	11706
EC Number:	2.7.7.49

Chains:

Chain Name:	Percentage of Residues within binding site
A	97 %
B	3 %

Ligand binding site composition:

B-Factor:	31.890
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.378	492.750

% Hydrophobic	% Polar
69.86	30.14
According to VolSite

Ligand :

HET Code:	UC4
Formula:	C16H18ClNO4S
Molecular weight:	355.836 g/mol
DrugBank ID:	DB08682
Buried Surface Area:	72.59 %
Polar Surface area:	89.93 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
-0.939174	-34.9983	24.2306

Binding mode :

What is Poseview ?

2D View
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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
C9	CD1	LEU- 100	3.55	0	Hydrophobic	false
C6	CD1	LEU- 100	3.57	0	Hydrophobic	false
OG	N	LYS- 101	2.94	162.27	H-Bond (Protein Donor)	false
N	O	LYS- 101	2.61	156.22	H-Bond (Ligand Donor)	false
CF	CB	LYS- 103	3.64	0	Hydrophobic	false
CL	CG1	VAL- 106	4.12	0	Hydrophobic	false
C1	CG1	VAL- 106	3.99	0	Hydrophobic	false
CF	CG1	VAL- 106	4.21	0	Hydrophobic	false
C3	CG2	VAL- 106	3.89	0	Hydrophobic	false
S	CG1	VAL- 179	3.25	0	Hydrophobic	false
C10	CD2	TYR- 181	4.27	0	Hydrophobic	false
CD	CB	TYR- 181	3.38	0	Hydrophobic	false
C8	CD2	TYR- 188	4.06	0	Hydrophobic	false
C10	CE2	TYR- 188	3.27	0	Hydrophobic	false
CL	CE2	PHE- 227	3.75	0	Hydrophobic	false
C9	CD2	TRP- 229	3.98	0	Hydrophobic	false
C10	CE3	TRP- 229	4.11	0	Hydrophobic	false
C9	CG	LEU- 234	4.36	0	Hydrophobic	false
CL	CB	LEU- 234	3.55	0	Hydrophobic	false