scPDB - 3e6y entry

Protein Data Bank Entry:

PDB ID : 3e6y

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2008-08-17

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	100 %
D	0 %

Ligand binding site composition:

B-Factor:	20.709
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.348	519.750

% Hydrophobic	% Polar
38.96	61.04
According to VolSite

Ligand :

HET Code:	CW1
Formula:	C34H52O12
Molecular weight:	652.769 g/mol
DrugBank ID:	-
Buried Surface Area:	33.07 %
Polar Surface area:	151.6 Å2

Number of
H-Bond Acceptors:	12
H-Bond Donors:	3
Rings:	6
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	11

Mass center Coordinates

X	Y	Z
-14.2903	-46.6631	0.163

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
CAF	CB	ASN- 49	3.67	0	Hydrophobic	false
CAT	CG2	VAL- 53	4.03	0	Hydrophobic	false
CAP	CG2	VAL- 53	4.4	0	Hydrophobic	false
CAF	CG2	VAL- 53	4.26	0	Hydrophobic	false
CAU	CE2	PHE- 126	3.6	0	Hydrophobic	false
CAB	CE2	PHE- 126	3.59	0	Hydrophobic	false
CAE	CE2	PHE- 126	3.77	0	Hydrophobic	false
OAW	NZ	LYS- 129	3.19	154.04	H-Bond (Protein Donor)	false
OAK	NZ	LYS- 129	2.96	129.98	H-Bond (Protein Donor)	false
CAB	CD	LYS- 129	3.76	0	Hydrophobic	false
CAS	CD	LYS- 129	4.03	0	Hydrophobic	false
CAB	CG	MET- 130	4.03	0	Hydrophobic	false
CAR	CB	PRO- 174	4.46	0	Hydrophobic	false
CBH	CB	PRO- 174	4.27	0	Hydrophobic	false
CAE	CG1	ILE- 175	4.33	0	Hydrophobic	false
OAI	OD2	ASP- 222	2.98	153.69	H-Bond (Ligand Donor)	false
OAJ	OD2	ASP- 222	2.78	161.51	H-Bond (Ligand Donor)	false
CAC	CB	ASP- 222	4.33	0	Hydrophobic	false
CAC	CD2	LEU- 225	3.94	0	Hydrophobic	false
CAC	CD1	ILE- 226	4.09	0	Hydrophobic	false
CAR	CD1	ILE- 226	3.9	0	Hydrophobic	false