scPDB - 1sst entry

Protein Data Bank Entry:

PDB ID : 1sst

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2004-03-24

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Serine acetyltransferase
ID:	CYSE_HAEIN
AC:	P43886
Organism:	Haemophilus influenzae
Reign:	Bacteria
TaxID:	71421
EC Number:	2.3.1.30

Chains:

Chain Name:	Percentage of Residues within binding site
A	59 %
B	41 %

Ligand binding site composition:

B-Factor:	36.646
Number of residues:	37
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.443	1211.625

% Hydrophobic	% Polar
52.92	47.08
According to VolSite

Ligand :

HET Code:	COA
Formula:	C21H32N7O16P3S
Molecular weight:	763.502 g/mol
DrugBank ID:	DB01992
Buried Surface Area:	45.16 %
Polar Surface area:	426.11 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	18

Mass center Coordinates

X	Y	Z
9.96052	28.0567	29.7806

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
S1P	CG1	VAL- 159	4.25	0	Hydrophobic	false
C6P	CD1	LEU- 173	4.05	0	Hydrophobic	false
S1P	CD2	LEU- 173	3.64	0	Hydrophobic	false
S1P	CG2	THR- 177	3.83	0	Hydrophobic	false
N4P	O	GLY- 180	2.81	124.86	H-Bond (Ligand Donor)	false
N8P	O	THR- 181	3.43	147.02	H-Bond (Ligand Donor)	false
O5P	N	ALA- 200	3.07	156.15	H-Bond (Protein Donor)	false
C6P	CD1	LEU- 205	4.38	0	Hydrophobic	false
O4A	NZ	LYS- 215	3.62	0	Ionic (Protein Cationic)	false
O5A	NZ	LYS- 215	2.62	0	Ionic (Protein Cationic)	false
O5A	NZ	LYS- 215	2.62	151.49	H-Bond (Protein Donor)	false
CDP	CB	LYS- 215	3.81	0	Hydrophobic	false
CEP	CD	LYS- 215	3.95	0	Hydrophobic	false
N6A	O	ALA- 218	2.91	162.05	H-Bond (Ligand Donor)	false
O9P	N	ALA- 218	3.19	160.06	H-Bond (Protein Donor)	false
C2B	CD1	LEU- 223	4.35	0	Hydrophobic	false
O5A	OG1	THR- 231	2.61	159.14	H-Bond (Protein Donor)	false
CDP	CG2	THR- 231	3.74	0	Hydrophobic	false
C1B	CG	PRO- 236	4.39	0	Hydrophobic	false
C4B	CG2	VAL- 240	3.75	0	Hydrophobic	false