scPDB - 1fp2 entry

Protein Data Bank Entry:

PDB ID : 1fp2

Resolution :1.400 Å

Experimental Method : X-ray

Deposition Date : 2000-08-29

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Isoflavone-7-O-methyltransferase 8
ID:	7OMT8_MEDSA
AC:	O24529
Organism:	Medicago sativa
Reign:	Eukaryota
TaxID:	3879
EC Number:	2.1.1.150

Chains:

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

Ligand binding site composition:

B-Factor:	15.266
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.629	1208.250

% Hydrophobic	% Polar
64.25	35.75
According to VolSite

Ligand :

HET Code:	HMO
Formula:	C16H12O4
Molecular weight:	268.264 g/mol
DrugBank ID:	DB04202
Buried Surface Area:	70.03 %
Polar Surface area:	55.76 Å2

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

Mass center Coordinates

X	Y	Z
-17.1258	8.33305	17.9629

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
C16	CG2	VAL- 118	4.29	0	Hydrophobic	false
C14	CG1	VAL- 118	3.86	0	Hydrophobic	false
C16	CD1	LEU- 123	4.11	0	Hydrophobic	false
C15	CB	LEU- 123	3.51	0	Hydrophobic	false
C20	CZ	PHE- 164	4.44	0	Hydrophobic	false
C1	SD	MET- 168	4.23	0	Hydrophobic	false
C20	CE	MET- 168	3.93	0	Hydrophobic	false
C20	CB	TYR- 254	3.84	0	Hydrophobic	false
O19	NE2	HIS- 257	2.85	146.35	H-Bond (Protein Donor)	false
C3	CE	MET- 307	4.45	0	Hydrophobic	false
O18	ND2	ASN- 310	3.04	145.39	H-Bond (Protein Donor)	false
C3	SD	MET- 311	4.25	0	Hydrophobic	false
C12	SG	CYS- 313	4.06	0	Hydrophobic	false