scPDB - 2prz entry

Protein Data Bank Entry:

PDB ID : 2prz

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2007-05-04

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Orotate phosphoribosyltransferase 1
ID:	PYRE_YEAST
AC:	P13298
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	2.4.2.10

Chains:

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

Ligand binding site composition:

B-Factor:	24.775
Number of residues:	28
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.197	529.875

% Hydrophobic	% Polar
38.85	61.15
According to VolSite

Ligand :

HET Code:	OMP
Formula:	C10H10N2O11P
Molecular weight:	365.167 g/mol
DrugBank ID:	DB02957
Buried Surface Area:	71.21 %
Polar Surface area:	221.46 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
85.7568	50.5377	50.6967

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
O1P	NZ	LYS- 29	2.54	169.44	H-Bond (Protein Donor)	false
O71	N	LYS- 29	2.98	168.92	H-Bond (Protein Donor)	false
O1P	NZ	LYS- 29	2.54	0	Ionic (Protein Cationic)	false
O2P	NZ	LYS- 29	3.89	0	Ionic (Protein Cationic)	false
C1'	CZ	PHE- 37	4.45	0	Hydrophobic	false
N3	O	PHE- 38	2.62	160.8	H-Bond (Ligand Donor)	false
O4	N	PHE- 38	2.84	172.45	H-Bond (Protein Donor)	false
O3'	OD1	ASP- 132	2.82	165.16	H-Bond (Ligand Donor)	false
C3'	CB	VAL- 133	4.35	0	Hydrophobic	false
O3P	N	THR- 135	2.78	167.23	H-Bond (Protein Donor)	false
O72	OG1	THR- 135	2.58	158.13	H-Bond (Protein Donor)	false
C5'	CB	THR- 135	4.17	0	Hydrophobic	false
O2P	N	ALA- 136	2.82	157.17	H-Bond (Protein Donor)	false
O3P	N	GLY- 137	2.86	146.78	H-Bond (Protein Donor)	false
O1P	N	ALA- 139	2.74	164.82	H-Bond (Protein Donor)	false
O4	NH1	ARG- 163	2.92	142	H-Bond (Protein Donor)	false
O2	O	HOH- 560	2.75	134.39	H-Bond (Protein Donor)	false