scPDB - 1sr7 entry

Protein Data Bank Entry:

PDB ID : 1sr7

Resolution :1.460 Å

Experimental Method : X-ray

Deposition Date : 2004-03-22

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Progesterone receptor
ID:	PRGR_HUMAN
AC:	P06401
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	17.105
Number of residues:	43
Including
Standard Amino Acids:	41
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.848	587.250

% Hydrophobic	% Polar
68.39	31.61
According to VolSite

Ligand :

HET Code:	MOF
Formula:	C27H30Cl2O6
Molecular weight:	521.429 g/mol
DrugBank ID:	DB00764
Buried Surface Area:	85.92 %
Polar Surface area:	93.81 Å2

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

Mass center Coordinates

X	Y	Z
-3.2774	-8.767	24.1674

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
C12	CD2	LEU- 715	4.04	0	Hydrophobic	false
CL25	CD2	LEU- 718	4.15	0	Hydrophobic	false
C7	CB	LEU- 718	3.92	0	Hydrophobic	false
O21	OD1	ASN- 719	3.11	163.85	H-Bond (Ligand Donor)	false
C33	CD2	LEU- 721	3.6	0	Hydrophobic	false
O35	NE2	GLN- 725	2.98	136	H-Bond (Protein Donor)	false
C31	CZ3	TRP- 755	4.22	0	Hydrophobic	false
C9	SD	MET- 756	3.88	0	Hydrophobic	false
C8	CE	MET- 756	4.24	0	Hydrophobic	false
C20	CG	MET- 756	3.95	0	Hydrophobic	false
C26	CB	MET- 759	3.92	0	Hydrophobic	false
C31	SD	MET- 759	3.49	0	Hydrophobic	false
C26	CB	VAL- 760	4.15	0	Hydrophobic	false
C33	CD2	PHE- 778	4.18	0	Hydrophobic	false
CL25	CE2	PHE- 778	3.6	0	Hydrophobic	false
C10	CD2	LEU- 797	3.86	0	Hydrophobic	false
C20	SD	MET- 801	4.07	0	Hydrophobic	false
C9	CB	LEU- 887	4.06	0	Hydrophobic	false
C10	CD2	LEU- 887	3.98	0	Hydrophobic	false
C10	CD2	TYR- 890	4.01	0	Hydrophobic	false
CL18	CE2	TYR- 890	4.5	0	Hydrophobic	false
C3	CB	CYS- 891	4.37	0	Hydrophobic	false
C8	SG	CYS- 891	4.05	0	Hydrophobic	false
CL18	CG2	THR- 894	3.63	0	Hydrophobic	false
CL18	CG1	VAL- 903	3.98	0	Hydrophobic	false
CL18	CZ	PHE- 905	3.74	0	Hydrophobic	false
C8	CE	MET- 909	3.59	0	Hydrophobic	false