scPDB - 1coz entry

Protein Data Bank Entry:

PDB ID : 1coz

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 1999-05-29

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glycerol-3-phosphate cytidylyltransferase
ID:	TAGD_BACSU
AC:	P27623
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
EC Number:	2.7.7.39

Chains:

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

Ligand binding site composition:

B-Factor:	28.106
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.327	826.875

% Hydrophobic	% Polar
50.20	49.80
According to VolSite

Ligand :

HET Code:	CTP
Formula:	C9H12N3O14P3
Molecular weight:	479.125 g/mol
DrugBank ID:	DB02431
Buried Surface Area:	67.97 %
Polar Surface area:	308.95 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
18.1486	16.168	-39.2331

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
O2A	N	THR- 509	3.24	141.95	H-Bond (Protein Donor)	false
O2A	N	PHE- 510	2.88	156.39	H-Bond (Protein Donor)	false
C5'	CZ	PHE- 510	3.84	0	Hydrophobic	false
O1B	NE2	HIS- 514	3.27	147.64	H-Bond (Protein Donor)	false
O2A	NE2	HIS- 517	3.44	131.3	H-Bond (Protein Donor)	false
O3A	NE2	HIS- 517	2.63	149.19	H-Bond (Protein Donor)	false
C1'	CG	LEU- 520	3.99	0	Hydrophobic	false
C4'	CG	LEU- 520	4.25	0	Hydrophobic	false
O2G	NZ	LYS- 546	3.57	0	Ionic (Protein Cationic)	false
O3G	NZ	LYS- 546	3.76	0	Ionic (Protein Cationic)	false
C2'	CG	ARG- 613	4.33	0	Hydrophobic	false
O2B	NH1	ARG- 613	2.8	141.8	H-Bond (Protein Donor)	false
O2B	NH2	ARG- 613	2.9	137.31	H-Bond (Protein Donor)	false
O2B	CZ	ARG- 613	3.26	0	Ionic (Protein Cationic)	false
N3	N	THR- 614	2.97	161.06	H-Bond (Protein Donor)	false
N4	O	THR- 614	2.6	146.11	H-Bond (Ligand Donor)	false
N4	O	ILE- 617	2.52	164.74	H-Bond (Ligand Donor)	false
O1B	N	THR- 619	2.67	159.08	H-Bond (Protein Donor)	false
O1G	N	THR- 620	3.22	158.98	H-Bond (Protein Donor)	false