scPDB - 1zhw entry

Protein Data Bank Entry:

PDB ID : 1zhw

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2005-04-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Oxysterol-binding protein homolog 4
ID:	KES1_YEAST
AC:	P35844
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	19.974
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.566	1336.500

% Hydrophobic	% Polar
58.08	41.92
According to VolSite

Ligand :

HET Code:	HC2
Formula:	C27H46O2
Molecular weight:	402.653 g/mol
DrugBank ID:	DB04704
Buried Surface Area:	60.29 %
Polar Surface area:	40.46 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	2
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
56.2911	34.0482	29.0164

Binding mode :

What is Poseview ?

2D View
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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	CD1	LEU- 24	4.05	0	Hydrophobic	false
C26	CG1	ILE- 33	3.95	0	Hydrophobic	false
C1	CD2	LEU- 39	4.03	0	Hydrophobic	false
C11	CD2	LEU- 39	3.93	0	Hydrophobic	false
C7	CE2	PHE- 42	3.92	0	Hydrophobic	false
C9	CE2	PHE- 42	4.19	0	Hydrophobic	false
C1	CD2	PHE- 42	4	0	Hydrophobic	false
C3	CD2	PHE- 42	4.07	0	Hydrophobic	false
C4	CB	GLN- 96	4.37	0	Hydrophobic	false
O1	OE1	GLN- 96	2.79	160.35	H-Bond (Ligand Donor)	false
C4	CE2	TYR- 97	3.55	0	Hydrophobic	false
C7	CD2	TYR- 97	4.07	0	Hydrophobic	false
C16	CG	GLU- 107	3.56	0	Hydrophobic	false
C24	CB	LYS- 109	3.68	0	Hydrophobic	false
C26	CB	LYS- 109	4.47	0	Hydrophobic	false
C12	CG	PRO- 110	4.47	0	Hydrophobic	false
C18	CD1	ILE- 167	4.06	0	Hydrophobic	false
C19	CG2	ILE- 167	3.99	0	Hydrophobic	false
C11	CD1	ILE- 167	3.93	0	Hydrophobic	false
C21	CD2	LEU- 177	3.49	0	Hydrophobic	false
C27	CD2	LEU- 177	4	0	Hydrophobic	false
C18	CG2	VAL- 179	4.06	0	Hydrophobic	false
C19	CG	GLN- 181	4.42	0	Hydrophobic	false
C19	CD2	LEU- 201	4.46	0	Hydrophobic	false
C18	CD1	ILE- 203	4.4	0	Hydrophobic	false
C21	CG1	ILE- 203	4.18	0	Hydrophobic	false
C15	CD1	ILE- 203	3.74	0	Hydrophobic	false
C27	CD1	ILE- 206	4.24	0	Hydrophobic	false
C26	CG	PRO- 211	4.41	0	Hydrophobic	false
C15	CG2	VAL- 213	3.84	0	Hydrophobic	false