scPDB - 4pzt entry

Protein Data Bank Entry:

PDB ID : 4pzt

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2014-03-31

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Histone acetyltransferase p300
ID:	EP300_HUMAN
AC:	Q09472
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	27.486
Number of residues:	36
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.942	816.750

% Hydrophobic	% Polar
48.76	51.24
According to VolSite

Ligand :

HET Code:	SOP
Formula:	C24H36N7O17P3S
Molecular weight:	819.566 g/mol
DrugBank ID:	-
Buried Surface Area:	53.62 %
Polar Surface area:	429.68 Å2

Number of
H-Bond Acceptors:	22
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	21

Mass center Coordinates

X	Y	Z
20.1583	-14.3487	-1.26679

Binding mode :

What is Poseview ?

2D View
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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
CPB	CD1	LEU- 1398	4.26	0	Hydrophobic	false
CPA	CD1	LEU- 1398	4.24	0	Hydrophobic	false
CP1	CD1	LEU- 1398	4.09	0	Hydrophobic	false
CA1	CG	LEU- 1398	4.31	0	Hydrophobic	false
NP1	O	LEU- 1398	3.15	151.43	H-Bond (Ligand Donor)	false
OA1	N	LEU- 1398	2.74	147.52	H-Bond (Protein Donor)	false
CPA	CB	SER- 1400	3.78	0	Hydrophobic	false
OP2	OG	SER- 1400	2.71	174.14	H-Bond (Protein Donor)	false
O21	NE	ARG- 1410	2.81	150.22	H-Bond (Protein Donor)	false
O21	NH2	ARG- 1410	2.89	141.92	H-Bond (Protein Donor)	false
O21	CZ	ARG- 1410	3.27	0	Ionic (Protein Cationic)	false
O22	OG1	THR- 1411	2.71	167.61	H-Bond (Protein Donor)	false
CP9	CD2	TYR- 1414	4.4	0	Hydrophobic	false
CPA	CE2	TYR- 1414	3.79	0	Hydrophobic	false
CA1	CG2	ILE- 1435	4.47	0	Hydrophobic	false
CA3	CB	CYS- 1438	4.13	0	Hydrophobic	false
CP4	CD2	TYR- 1446	4.16	0	Hydrophobic	false
CA3	CE2	TYR- 1446	3.66	0	Hydrophobic	false
N6	O	ILE- 1457	2.56	152.35	H-Bond (Ligand Donor)	false
CPB	CD1	LEU- 1463	3.96	0	Hydrophobic	false
CP1	CD2	LEU- 1463	3.81	0	Hydrophobic	false
O22	NE1	TRP- 1466	2.84	156.19	H-Bond (Protein Donor)	false
CP9	CE2	TRP- 1466	3.65	0	Hydrophobic	false
CPA	CZ2	TRP- 1466	4.15	0	Hydrophobic	false
CA1	CZ	PHE- 1467	4.33	0	Hydrophobic	false
S	CZ	PHE- 1467	3.79	0	Hydrophobic	false