scPDB - 3fp0 entry

Protein Data Bank Entry:

PDB ID : 3fp0

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2009-01-02

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	15-O-acetyltransferase
ID:	Q9C1B7_FUSSP
AC:	Q9C1B7
Organism:	Fusarium sporotrichioides
Reign:	Eukaryota
TaxID:	5514
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	11.774
Number of residues:	39
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.459	421.875

% Hydrophobic	% Polar
53.60	46.40
According to VolSite

Ligand :

HET Code:	FP0
Formula:	C17H24O5
Molecular weight:	308.369 g/mol
DrugBank ID:	-
Buried Surface Area:	66.04 %
Polar Surface area:	68.29 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
16.4997	5.46382	-30.0501

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
C14	CB	ALA- 36	4.36	0	Hydrophobic	false
C2	CD1	ILE- 39	4.46	0	Hydrophobic	false
C13	CG2	ILE- 39	4.09	0	Hydrophobic	false
C13	CG1	VAL- 40	3.39	0	Hydrophobic	false
C8	CD1	TYR- 51	4.14	0	Hydrophobic	false
C13	CD2	TYR- 51	4.28	0	Hydrophobic	false
C16	CE1	TYR- 51	3.52	0	Hydrophobic	false
C18	CB	PRO- 336	4.1	0	Hydrophobic	false
C4	CB	SER- 338	3.73	0	Hydrophobic	false
C18	CB	SER- 338	4.39	0	Hydrophobic	false
C15	CB	SER- 338	4.31	0	Hydrophobic	false
C14	SD	MET- 356	4.25	0	Hydrophobic	false
C14	CG	GLN- 358	4.15	0	Hydrophobic	false
O4	NE2	HIS- 414	3.18	121.68	H-Bond (Protein Donor)	false
C11	CD2	LEU- 435	4.01	0	Hydrophobic	false
C18	CD1	LEU- 435	4.01	0	Hydrophobic	false
C8	CD1	ILE- 437	4.47	0	Hydrophobic	false
C15	CD1	ILE- 437	4.37	0	Hydrophobic	false
C16	CD1	ILE- 437	3.86	0	Hydrophobic	false
C8	CG1	VAL- 469	4.5	0	Hydrophobic	false
C16	CG1	VAL- 469	4.5	0	Hydrophobic	false
C16	CB	ALA- 477	4.11	0	Hydrophobic	false
C16	CD1	ILE- 492	3.77	0	Hydrophobic	false
O12	O	HOH- 523	2.6	139.98	H-Bond (Protein Donor)	false
O12	O	HOH- 696	3.07	154.75	H-Bond (Ligand Donor)	false