scPDB - 1q7g entry

Protein Data Bank Entry:

PDB ID : 1q7g

Resolution :2.600 Å

Experimental Method : X-ray

Deposition Date : 2003-08-18

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Homoserine dehydrogenase
ID:	DHOM_YEAST
AC:	P31116
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	1.1.1.3

Chains:

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

Ligand binding site composition:

B-Factor:	26.445
Number of residues:	49
Including
Standard Amino Acids:	49
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.296	685.125

% Hydrophobic	% Polar
32.02	67.98
According to VolSite

Ligand :

HET Code:	NHO
Formula:	C26H33N8O18P2
Molecular weight:	807.531 g/mol
DrugBank ID:	DB02349
Buried Surface Area:	51.92 %
Polar Surface area:	448.61 Å2

Number of
H-Bond Acceptors:	22
H-Bond Donors:	8
Rings:	5
Aromatic rings:	3
Anionic atoms:	3
Cationic atoms:	2
Rule of Five Violation:	3
Rotatable Bonds:	16

Mass center Coordinates

X	Y	Z
70.917	23.8855	-10.7062

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
O1A	N	VAL- 15	3	160.2	H-Bond (Protein Donor)	false
O2N	N	VAL- 16	2.83	146.42	H-Bond (Protein Donor)	false
C5B	CG2	VAL- 16	4.06	0	Hydrophobic	false
O3'	OE1	GLU- 40	3.18	164.11	H-Bond (Ligand Donor)	false
O2'	OE1	GLU- 40	3.21	164.23	H-Bond (Ligand Donor)	false
C1'	CG2	THR- 93	3.99	0	Hydrophobic	false
C3B	CB	SER- 94	3.83	0	Hydrophobic	false
C4B	CG	PRO- 115	3.94	0	Hydrophobic	false
C1B	CB	PRO- 115	3.89	0	Hydrophobic	false
O2B	NZ	LYS- 117	2.98	123.78	H-Bond (Protein Donor)	false
O4R	NZ	LYS- 117	3.37	129.75	H-Bond (Protein Donor)	false
O1R	N	GLY- 175	2.93	134.39	H-Bond (Protein Donor)	false
O5R	NZ	LYS- 223	3.06	147.77	H-Bond (Protein Donor)	false
O5R	O	GLY- 338	2.73	144.65	H-Bond (Ligand Donor)	false
C5R	CB	ALA- 339	4.16	0	Hydrophobic	false
O7N	N	GLY- 340	2.82	156.98	H-Bond (Protein Donor)	false
C4N	CG2	THR- 344	4.07	0	Hydrophobic	false