scPDB - 2g7m entry

Protein Data Bank Entry:

PDB ID : 2g7m

Resolution :2.900 Å

Experimental Method : X-ray

Deposition Date : 2006-02-28

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Ornithine carbamoyltransferase
ID:	Q64Z33_BACFR
AC:	Q64Z33
Organism:	Bacteroides fragilis
Reign:	Bacteria
TaxID:	295405
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
X	7 %
Y	93 %

Ligand binding site composition:

B-Factor:	34.282
Number of residues:	28
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.247	327.375

% Hydrophobic	% Polar
53.61	46.39
According to VolSite

Ligand :

HET Code:	AN0
Formula:	C7H12NO3
Molecular weight:	158.175 g/mol
DrugBank ID:	-
Buried Surface Area:	69.15 %
Polar Surface area:	69.23 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
44.7201	-69.969	-22.427

Binding mode :

What is Poseview ?

2D View
3D View

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
CB	CZ2	TRP- 75	4.4	0	Hydrophobic	false
C2	CZ3	TRP- 75	4.27	0	Hydrophobic	false
C2	CG	GLU- 90	4.22	0	Hydrophobic	false
CB	CZ	PHE- 112	3.48	0	Hydrophobic	false
O	OE2	GLU- 142	2.63	143.23	H-Bond (Protein Donor)	false
C2	CD2	LEU- 180	3.62	0	Hydrophobic	false
CG	CG2	VAL- 184	4.33	0	Hydrophobic	false
OXT	NZ	LYS- 236	2.87	151.09	H-Bond (Protein Donor)	false
OXT	NZ	LYS- 236	2.87	0	Ionic (Protein Cationic)	false
CD	SG	CYS- 274	4.34	0	Hydrophobic	false