scPDB - 1tz8 entry

Protein Data Bank Entry:

PDB ID : 1tz8

Resolution :1.850 Å

Experimental Method : X-ray

Deposition Date : 2004-07-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Transthyretin
ID:	TTHY_HUMAN
AC:	P02766
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	46 %
B	54 %

Ligand binding site composition:

B-Factor:	19.355
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.300	631.125

% Hydrophobic	% Polar
63.64	36.36
According to VolSite

Ligand :

HET Code:	DES
Formula:	C18H20O2
Molecular weight:	268.350 g/mol
DrugBank ID:	DB00255
Buried Surface Area:	64.51 %
Polar Surface area:	40.46 Å2

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

Mass center Coordinates

X	Y	Z
16.6104	61.7177	34.9484

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
O3	NZ	LYS- 15	3.17	144.86	H-Bond (Protein Donor)	false
C3	CD	LYS- 15	4.1	0	Hydrophobic	false
C3	CD	LYS- 15	3.39	0	Hydrophobic	false
C6	CD1	LEU- 17	3.77	0	Hydrophobic	false
C5	CG	LEU- 17	4.44	0	Hydrophobic	false
C4	CD1	LEU- 17	4	0	Hydrophobic	false
C1	CD1	LEU- 17	4.3	0	Hydrophobic	false
CP8	CD1	LEU- 17	3.47	0	Hydrophobic	false
C8	CD1	LEU- 17	3.65	0	Hydrophobic	false
C1	CB	ALA- 108	3.98	0	Hydrophobic	false
C9	CB	ALA- 108	3.98	0	Hydrophobic	false
CP9	CB	ALA- 108	4.02	0	Hydrophobic	false
C5	CB	ALA- 108	3.73	0	Hydrophobic	false
CP9	CB	LEU- 110	4.01	0	Hydrophobic	false
CP2	CB	LEU- 110	4.18	0	Hydrophobic	false
CP2	CD2	LEU- 110	3.84	0	Hydrophobic	false
CP4	CB	LEU- 110	3.93	0	Hydrophobic	false
CP4	CD2	LEU- 110	3.78	0	Hydrophobic	false
C9	CB	LEU- 110	3.83	0	Hydrophobic	false
OP3	OG	SER- 117	2.64	130.14	H-Bond (Protein Donor)	false
OP3	OG	SER- 117	2.81	160.37	H-Bond (Ligand Donor)	false
CP2	CB	SER- 117	4.09	0	Hydrophobic	false
CP4	CB	SER- 117	3.79	0	Hydrophobic	false
CP1	CG2	THR- 119	4.32	0	Hydrophobic	false
CP5	CG2	THR- 119	4.46	0	Hydrophobic	false
C8	CG2	THR- 119	3.91	0	Hydrophobic	false