scPDB - 2hzq entry

Protein Data Bank Entry:

PDB ID : 2hzq

Resolution :1.800 Å

Experimental Method : X-ray

Deposition Date : 2006-08-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Apolipoprotein D
ID:	APOD_HUMAN
AC:	P05090
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:	16.975
Number of residues:	23
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.017	604.125

% Hydrophobic	% Polar
56.42	43.58
According to VolSite

Ligand :

HET Code:	STR
Formula:	C21H30O2
Molecular weight:	314.462 g/mol
DrugBank ID:	DB00396
Buried Surface Area:	51.1 %
Polar Surface area:	34.14 Å2

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

Mass center Coordinates

X	Y	Z
5.26474	30.4933	57.1533

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
C21	CB	GLU- 28	4.06	0	Hydrophobic	false
C2	CG2	THR- 34	3.98	0	Hydrophobic	false
C21	CG2	ILE- 42	4.37	0	Hydrophobic	false
C18	CB	ALA- 44	4.07	0	Hydrophobic	false
C21	CB	ALA- 44	3.79	0	Hydrophobic	false
O20	OH	TYR- 46	2.58	154.85	H-Bond (Protein Donor)	false
C18	CG1	VAL- 56	4.4	0	Hydrophobic	false
C18	CB	ASN- 58	4.42	0	Hydrophobic	false
C19	CG2	ILE- 70	4.28	0	Hydrophobic	false
C6	CG1	VAL- 87	4.47	0	Hydrophobic	false
C18	CZ	PHE- 89	4.23	0	Hydrophobic	false
C6	CE1	PHE- 89	3.69	0	Hydrophobic	false
C19	CE1	PHE- 89	3.52	0	Hydrophobic	false
C15	CE1	TYR- 98	3.57	0	Hydrophobic	false
C14	CE2	TRP- 127	3.81	0	Hydrophobic	false
C7	CZ2	TRP- 127	3.75	0	Hydrophobic	false
C16	CD2	TRP- 127	4.03	0	Hydrophobic	false
C16	CD1	LEU- 129	4.39	0	Hydrophobic	false
C17	CD2	LEU- 129	4.23	0	Hydrophobic	false
C21	CD2	LEU- 129	3.79	0	Hydrophobic	false