scPDB - 1zuc entry

Protein Data Bank Entry:

PDB ID : 1zuc

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2005-05-30

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:	18.312
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.528	550.125

% Hydrophobic	% Polar
59.51	40.49
According to VolSite

Ligand :

HET Code:	T98
Formula:	C16H15N3OS
Molecular weight:	297.375 g/mol
DrugBank ID:	DB04787
Buried Surface Area:	81.15 %
Polar Surface area:	82.07 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

Mass center Coordinates

X	Y	Z
27.8465	-7.95967	9.62181

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
C1	CD2	LEU- 715	3.9	0	Hydrophobic	false
C1	CD1	LEU- 718	4.03	0	Hydrophobic	false
C14	CD2	LEU- 718	4.08	0	Hydrophobic	false
C7	CB	LEU- 718	4.25	0	Hydrophobic	false
N1	OD1	ASN- 719	2.78	145.01	H-Bond (Ligand Donor)	false
C14	CD2	LEU- 721	4.08	0	Hydrophobic	false
N3	NE2	GLN- 725	3.06	145.49	H-Bond (Protein Donor)	false
C16	CE	MET- 756	4.1	0	Hydrophobic	false
C3	CE	MET- 756	4.24	0	Hydrophobic	false
C4	SD	MET- 756	4.15	0	Hydrophobic	false
C14	SD	MET- 759	4.23	0	Hydrophobic	false
C14	CD2	PHE- 778	4.38	0	Hydrophobic	false
C1	CE1	PHE- 794	4.22	0	Hydrophobic	false
C16	CD2	LEU- 797	3.49	0	Hydrophobic	false
C16	CB	LEU- 887	4.32	0	Hydrophobic	false
C1	CE1	TYR- 890	4.11	0	Hydrophobic	false
C16	CD1	TYR- 890	4.08	0	Hydrophobic	false
C16	CB	CYS- 891	4.44	0	Hydrophobic	false
C7	CE	MET- 909	4.11	0	Hydrophobic	false