scPDB - 1w2x entry

Protein Data Bank Entry:

PDB ID : 1w2x

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2004-07-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Acetyl-CoA carboxylase
ID:	ACAC_YEAST
AC:	Q00955
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	70 %
C	30 %

Ligand binding site composition:

B-Factor:	58.376
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.375	718.875

% Hydrophobic	% Polar
58.69	41.31
According to VolSite

Ligand :

HET Code:	RCP
Formula:	C30H36N3O3
Molecular weight:	486.625 g/mol
DrugBank ID:	-
Buried Surface Area:	57.28 %
Polar Surface area:	54.29 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	6
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
37.0682	-39.2198	64.7904

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
O26	OG1	THR- 1757	3.48	145.87	H-Bond (Protein Donor)	false
C3	CB	ALA- 1761	3.97	0	Hydrophobic	false
C28	CG2	ILE- 1762	4.04	0	Hydrophobic	false
C5	CD	LYS- 1764	3.58	0	Hydrophobic	false
C7	CB	LYS- 1764	3.62	0	Hydrophobic	false
C30	CE	MET- 1765	3.71	0	Hydrophobic	false
C28	CE	MET- 1765	3.77	0	Hydrophobic	false
C25	CE	MET- 1765	3.55	0	Hydrophobic	false
C19	CG	MET- 1765	4.07	0	Hydrophobic	false
C11	CG	MET- 1765	3.87	0	Hydrophobic	false
C10	CB	MET- 1765	4.07	0	Hydrophobic	false
C28	CD1	LEU- 1766	4.05	0	Hydrophobic	false
C23	CG1	VAL- 1923	4.21	0	Hydrophobic	false
C22	CG2	VAL- 1923	4.37	0	Hydrophobic	false
C22	CB	ARG- 1954	4.09	0	Hydrophobic	false
O26	N	GLY- 1958	2.86	162.52	H-Bond (Protein Donor)	false
C2	CD2	LEU- 2025	4.04	0	Hydrophobic	false
C17	CG	GLU- 2026	4.41	0	Hydrophobic	false
O15	N	GLU- 2026	3.11	164.56	H-Bond (Protein Donor)	false
C9	CB	GLN- 2028	3.95	0	Hydrophobic	false
C3	CD1	ILE- 2033	3.56	0	Hydrophobic	false