scPDB - 2o98 entry

Protein Data Bank Entry:

PDB ID : 2o98

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2006-12-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	14-3-3-like protein C
ID:	1433C_TOBAC
AC:	P93343
Organism:	Nicotiana tabacum
Reign:	Eukaryota
TaxID:	4097
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	86 %
P	3 %
Q	11 %

Ligand binding site composition:

B-Factor:	48.050
Number of residues:	36
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.560	614.250

% Hydrophobic	% Polar
42.31	57.69
According to VolSite

Ligand :

HET Code:	FSC
Formula:	C36H56O12
Molecular weight:	680.823 g/mol
DrugBank ID:	DB01780
Buried Surface Area:	52.3 %
Polar Surface area:	170.43 Å2

Number of
H-Bond Acceptors:	12
H-Bond Donors:	4
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	14

Mass center Coordinates

X	Y	Z
-13.8075	83.6262	88.0695

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
C7	CB	ASN- 49	3.81	0	Hydrophobic	false
C47	CD1	LEU- 50	3.66	0	Hydrophobic	false
C46	CD1	LEU- 50	4.23	0	Hydrophobic	false
C38	CB	SER- 52	4.43	0	Hydrophobic	false
C6	CG2	VAL- 53	4.42	0	Hydrophobic	false
C7	CG2	VAL- 53	3.77	0	Hydrophobic	false
C35	CG2	VAL- 53	4.44	0	Hydrophobic	false
C47	CG2	VAL- 53	3.74	0	Hydrophobic	false
O13	NZ	LYS- 56	3.31	123.66	H-Bond (Protein Donor)	false
C27	CE2	PHE- 126	3.69	0	Hydrophobic	false
C38	CE1	PHE- 126	3.61	0	Hydrophobic	false
C23	CE2	PHE- 126	3.8	0	Hydrophobic	false
O32	NZ	LYS- 129	2.82	165.52	H-Bond (Protein Donor)	false
C38	CD	LYS- 129	4.21	0	Hydrophobic	false
C26	CD	LYS- 129	4.09	0	Hydrophobic	false
C38	CG	MET- 130	3.25	0	Hydrophobic	false
C15	CB	PRO- 174	4.24	0	Hydrophobic	false
C23	CG1	ILE- 175	4.06	0	Hydrophobic	false
C36	CB	LYS- 221	4.05	0	Hydrophobic	false
C9	CB	ASP- 222	4.2	0	Hydrophobic	false
C18	CB	ASP- 222	3.8	0	Hydrophobic	false
O16	OD2	ASP- 222	2.81	170.37	H-Bond (Ligand Donor)	false
O29	OD2	ASP- 222	2.79	168.38	H-Bond (Protein Donor)	false
C18	CD1	LEU- 225	4.26	0	Hydrophobic	false
C17	CD1	LEU- 225	4.4	0	Hydrophobic	false
C36	CB	LEU- 225	4.32	0	Hydrophobic	false
C18	CD1	ILE- 226	3.81	0	Hydrophobic	false
C25	CD1	ILE- 226	4.12	0	Hydrophobic	false
C10	CG2	ILE- 956	4.44	0	Hydrophobic	false
C26	CD1	ILE- 956	4.18	0	Hydrophobic	false
O37	O	HOH- 1011	3.16	135.95	H-Bond (Protein Donor)	false