Chlorine in PDB 4tuv: X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole

Enzymatic activity of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole

All present enzymatic activity of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole:
1.11.1.7;

Protein crystallography data

The structure of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole, PDB code: 4tuv was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	36.67 / 2.50
*Space group*	P 6₃ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	165.800, 165.800, 75.860, 90.00, 90.00, 120.00
*R / R_free (%)*	18.8 / 23.9

Other elements in 4tuv:

The structure of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole (pdb code 4tuv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole, PDB code: 4tuv:

Chlorine binding site 1 out of 1 in 4tuv

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Chlorine Binding Sites List in 4tuv

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl402 b:52.0 occ:1.00	CL	A:CPZ402	0.0	52.0	1.0
	C9	A:CPZ402	1.8	46.1	1.0
	C10	A:CPZ402	2.7	39.5	1.0
	C8	A:CPZ402	2.7	43.3	1.0
	N	A:PHE153	3.6	48.6	1.0
	CG1	A:VAL353	3.6	39.0	1.0
	C	A:ALA152	3.9	46.1	1.0
	CB	A:VAL353	3.9	47.5	1.0
	CA	A:PHE153	4.0	46.5	1.0
	C11	A:CPZ402	4.0	37.8	1.0
	C7	A:CPZ402	4.0	36.9	1.0
	CG2	A:ILE161	4.1	49.1	1.0
	O	A:ALA152	4.3	46.2	1.0
	CB	A:ILE161	4.3	48.2	1.0
	CB	A:PHE153	4.4	47.6	1.0
	CG	A:LEU354	4.5	43.0	1.0
	CA	A:ALA152	4.5	47.5	1.0
	C6	A:CPZ402	4.5	35.3	1.0
	CG2	A:VAL353	4.6	44.3	1.0
	CD1	A:LEU354	4.7	43.2	1.0
	O	A:HOH564	4.8	38.8	1.0
	N	A:ALA152	4.8	45.9	1.0
	CD2	A:LEU354	4.8	42.4	1.0

Reference:

D.Basudhar, Y.Madrona, P.R.Ortiz De Montellano. uc(Nmr) and X-Ray Analysis of CYP119 Ligand Dependent Conformational Changes. To Be Published.

Page generated: Sat Dec 12 11:13:57 2020

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