scPDB - 1kt6 entry

Protein Data Bank Entry:

PDB ID : 1kt6

Resolution :1.100 Å

Experimental Method : X-ray

Deposition Date : 2002-01-15

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Retinol-binding protein 4
ID:	RET4_BOVIN
AC:	P18902
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:	16.105
Number of residues:	38
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.796	452.250

% Hydrophobic	% Polar
73.88	26.12
According to VolSite

Ligand :

HET Code:	RTL
Formula:	C20H30O
Molecular weight:	286.452 g/mol
DrugBank ID:	DB00162
Buried Surface Area:	71.85 %
Polar Surface area:	20.23 Å2

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

Mass center Coordinates

X	Y	Z
32.9322	19.2866	48.1416

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
C20	CB	LEU- 35	3.88	0	Hydrophobic	false
C19	CE1	PHE- 36	4.17	0	Hydrophobic	false
C3	CB	ALA- 43	4.06	0	Hydrophobic	false
C2	CZ	PHE- 45	4.05	0	Hydrophobic	false
C4	CB	ALA- 55	3.93	0	Hydrophobic	false
C3	CB	ALA- 57	4.21	0	Hydrophobic	false
C15	CG2	VAL- 61	3.93	0	Hydrophobic	false
C15	CD2	LEU- 63	4.21	0	Hydrophobic	false
C18	CB	MET- 73	4.16	0	Hydrophobic	false
C4	SD	MET- 88	3.95	0	Hydrophobic	false
C16	CE	MET- 88	4.29	0	Hydrophobic	false
C18	SD	MET- 88	3.92	0	Hydrophobic	false
C2	SD	MET- 88	4.33	0	Hydrophobic	false
C18	CB	TYR- 90	3.8	0	Hydrophobic	false
C19	CE2	TYR- 90	4.11	0	Hydrophobic	false
C15	CD2	LEU- 97	3.7	0	Hydrophobic	false
C15	CB	GLN- 98	4.48	0	Hydrophobic	false
C20	CB	GLN- 98	3.68	0	Hydrophobic	false
O1	N	GLN- 98	2.8	156.01	H-Bond (Protein Donor)	false
C16	CE2	TYR- 133	4.16	0	Hydrophobic	false
C19	CZ	TYR- 133	4.5	0	Hydrophobic	false
C16	CE2	PHE- 135	4.04	0	Hydrophobic	false
C17	CE2	PHE- 135	3.86	0	Hydrophobic	false
C17	CZ	PHE- 137	4.42	0	Hydrophobic	false