scPDB - 4g09 entry

Protein Data Bank Entry:

PDB ID : 4g09

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2012-07-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Histidinol dehydrogenase
ID:	HISX_BRUSU
AC:	Q8G2R2
Organism:	Brucella suis biovar 1
Reign:	Bacteria
TaxID:	204722
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	37.078
Number of residues:	26
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
1.151	951.750

% Hydrophobic	% Polar
47.16	52.84
According to VolSite

Ligand :

HET Code:	0VD
Formula:	C20H22N3O2
Molecular weight:	336.408 g/mol
DrugBank ID:	-
Buried Surface Area:	53.41 %
Polar Surface area:	82.62 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
57.4061	41.8757	89.665

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	CG	PRO- 132	3.48	0	Hydrophobic	false
C19	CB	ALA- 136	3.66	0	Hydrophobic	false
C14	CE1	TYR- 138	3.45	0	Hydrophobic	false
C10	CG	PRO- 212	4.41	0	Hydrophobic	false
C13	CB	SER- 237	4.29	0	Hydrophobic	false
C7	CB	SER- 237	4.48	0	Hydrophobic	false
C4	CB	ASP- 361	3.87	0	Hydrophobic	false
N3	OD1	ASP- 361	2.69	144.8	H-Bond (Ligand Donor)	false
C4	CB	HIS- 368	4.03	0	Hydrophobic	false
N2	ZN	ZN- 501	2.19	0	Metal Acceptor	false
DuAr	ZN	ZN- 501	3.28	103.68	Pi/Cation	false