scPDB - 3tz3 entry

Protein Data Bank Entry:

PDB ID : 3tz3

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2011-09-26

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	25 %
C	75 %

Ligand binding site composition:

B-Factor:	69.079
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.255	1525.500

% Hydrophobic	% Polar
54.20	45.80
According to VolSite

Ligand :

HET Code:	B36
Formula:	C31H28N2O
Molecular weight:	444.567 g/mol
DrugBank ID:	-
Buried Surface Area:	61.97 %
Polar Surface area:	33.2 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	0
Rings:	6
Aromatic rings:	5
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
-43.004	-29.4201	-18.694

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
CAD	CB	ALA- 1761	3.55	0	Hydrophobic	false
CAN	CD2	LEU- 1762	3.81	0	Hydrophobic	false
CAP	CB	LYS- 1764	3.82	0	Hydrophobic	false
CAJ	CD	LYS- 1764	3.92	0	Hydrophobic	false
CAQ	CG2	VAL- 1765	3.64	0	Hydrophobic	false
CBE	CG2	VAL- 1765	3.91	0	Hydrophobic	false
CBB	CG2	VAL- 1765	3.87	0	Hydrophobic	false
CAM	CG1	VAL- 1765	3.95	0	Hydrophobic	false
CAI	CG2	VAL- 1765	3.91	0	Hydrophobic	false
CAG	CD1	LEU- 1766	4.39	0	Hydrophobic	false
CAA	CD1	LEU- 1766	4.25	0	Hydrophobic	false
CAG	CB	ALA- 1920	4.17	0	Hydrophobic	false
CAN	CG1	VAL- 1923	4.49	0	Hydrophobic	false
CBA	CG2	VAL- 1923	3.61	0	Hydrophobic	false
CBA	CG2	VAL- 1923	3.61	0	Hydrophobic	false
CAU	CB	ARG- 1954	3.48	0	Hydrophobic	false
CAF	CD1	LEU- 2025	4.2	0	Hydrophobic	false
CAL	CD2	LEU- 2025	4.01	0	Hydrophobic	false
CAK	CB	GLU- 2026	4.1	0	Hydrophobic	false
CAR	CG	GLU- 2026	3.89	0	Hydrophobic	false
OAB	N	GLU- 2026	2.74	158.37	H-Bond (Protein Donor)	false
CAI	CG	GLU- 2028	3.43	0	Hydrophobic	false
CAP	CG	GLU- 2028	4.26	0	Hydrophobic	false
CAC	CB	GLU- 2028	3.7	0	Hydrophobic	false
OAB	N	GLY- 2029	3.46	121.66	H-Bond (Protein Donor)	false
CAJ	CG	GLU- 2032	3.88	0	Hydrophobic	false
CAF	CD1	ILE- 2033	3.58	0	Hydrophobic	false