scPDB - 1dp2 entry

Protein Data Bank Entry:

PDB ID : 1dp2

Resolution :2.010 Å

Experimental Method : X-ray

Deposition Date : 1999-12-23

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Thiosulfate sulfurtransferase
ID:	THTR_BOVIN
AC:	P00586
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	19.107
Number of residues:	17
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.193	428.625

% Hydrophobic	% Polar
45.67	54.33
According to VolSite

Ligand :

HET Code:	LPB
Formula:	C8H13O2S2
Molecular weight:	205.318 g/mol
DrugBank ID:	-
Buried Surface Area:	32.6 %
Polar Surface area:	90.72 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	1
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
42.4913	15.1309	36.7277

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
C7	CZ	PHE- 106	3.48	0	Hydrophobic	false
O2	NH1	ARG- 186	2.96	121.77	H-Bond (Protein Donor)	false
C3	CG	PRO- 194	3.82	0	Hydrophobic	false
C5	CG	PRO- 194	4.12	0	Hydrophobic	false
S8	CB	ARG- 248	3.88	0	Hydrophobic	false