scPDB - 1t7r entry

Protein Data Bank Entry:

PDB ID : 1t7r

Resolution :1.400 Å

Experimental Method : X-ray

Deposition Date : 2004-05-10

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Androgen receptor
ID:	ANDR_PANTR
AC:	O97775
Organism:	Pan troglodytes
Reign:	Eukaryota
TaxID:	9598
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	16.638
Number of residues:	32
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.599	317.250

% Hydrophobic	% Polar
71.28	28.72
According to VolSite

Ligand :

HET Code:	DHT
Formula:	C19H30O2
Molecular weight:	290.440 g/mol
DrugBank ID:	DB02901
Buried Surface Area:	77.21 %
Polar Surface area:	37.29 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	1
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	0

Mass center Coordinates

X	Y	Z
0.141333	30.638	38.4201

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
C17	CD1	LEU- 701	3.9	0	Hydrophobic	false
C12	CB	LEU- 704	4.08	0	Hydrophobic	false
C9	CB	LEU- 704	4.33	0	Hydrophobic	false
O17	OD1	ASN- 705	2.71	157.08	H-Bond (Ligand Donor)	false
C2	CD2	LEU- 707	3.92	0	Hydrophobic	false
C2	CG	GLN- 711	4.38	0	Hydrophobic	false
O3	NE2	GLN- 711	3.39	133.81	H-Bond (Protein Donor)	false
C18	CH2	TRP- 741	4.33	0	Hydrophobic	false
C19	CZ3	TRP- 741	4.22	0	Hydrophobic	false
C8	SD	MET- 742	4.24	0	Hydrophobic	false
C18	CE	MET- 742	3.73	0	Hydrophobic	false
C19	SD	MET- 742	4.08	0	Hydrophobic	false
C2	SD	MET- 745	4.04	0	Hydrophobic	false
C4	CB	MET- 745	4.14	0	Hydrophobic	false
C19	SD	MET- 745	3.77	0	Hydrophobic	false
C6	CG2	VAL- 746	4.07	0	Hydrophobic	false
C4	CB	MET- 749	4.22	0	Hydrophobic	false
C4	CD1	PHE- 764	3.83	0	Hydrophobic	false
C5	CE1	PHE- 764	3.64	0	Hydrophobic	false
C7	CE	MET- 780	4.31	0	Hydrophobic	false
C15	SD	MET- 780	4.02	0	Hydrophobic	false
C15	CD2	LEU- 873	4.15	0	Hydrophobic	false
C6	CD1	LEU- 873	4.18	0	Hydrophobic	false
C16	CD1	PHE- 876	3.75	0	Hydrophobic	false
O17	OG1	THR- 877	2.74	176.05	H-Bond (Protein Donor)	false
C18	CB	THR- 877	3.54	0	Hydrophobic	false
C16	CB	THR- 877	3.89	0	Hydrophobic	false