scPDB - 2fpc entry

Protein Data Bank Entry:

PDB ID : 2fpc

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 2006-01-16

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Strictosidine synthase
ID:	STSY_RAUSE
AC:	P68175
Organism:	Rauvolfia serpentina
Reign:	Eukaryota
TaxID:	4060
EC Number:	4.3.3.2

Chains:

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

Ligand binding site composition:

B-Factor:	28.435
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.283	550.125

% Hydrophobic	% Polar
68.10	31.90
According to VolSite

Ligand :

HET Code:	SCG
Formula:	C17H24O10
Molecular weight:	388.366 g/mol
DrugBank ID:	-
Buried Surface Area:	55.37 %
Polar Surface area:	151.97 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
106.382	-0.170593	2.75119

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
C15	CE1	TYR- 105	3.93	0	Hydrophobic	false
C15	CZ2	TRP- 149	3.8	0	Hydrophobic	false
C15	CG2	VAL- 176	4.04	0	Hydrophobic	false
C6	CG1	VAL- 176	3.72	0	Hydrophobic	false
C17	CE	MET- 276	4.16	0	Hydrophobic	false
C18	CG	MET- 276	3.73	0	Hydrophobic	false
C6	CE	MET- 276	3.42	0	Hydrophobic	false
O26	ND1	HIS- 277	3.21	150.07	H-Bond (Protein Donor)	false
C23	CB	GLU- 306	4.27	0	Hydrophobic	false
C9	CB	HIS- 307	4.23	0	Hydrophobic	false
C23	CB	HIS- 307	4.16	0	Hydrophobic	false
O24	N	HIS- 307	3.21	158.72	H-Bond (Protein Donor)	false
C9	CD1	LEU- 323	4.11	0	Hydrophobic	false
C15	CD1	LEU- 323	4.08	0	Hydrophobic	false
C5	CZ	PHE- 324	3.87	0	Hydrophobic	false
C17	CZ	PHE- 324	4.06	0	Hydrophobic	false
C21	CZ	PHE- 324	3.69	0	Hydrophobic	false
O26	O	HOH- 1039	3.49	125.83	H-Bond (Protein Donor)	false