Bromine in PDB 4tt5: Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole

Enzymatic activity of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole

All present enzymatic activity of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole, PDB code: 4tt5 was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.86 / 2.18
*Space group*	P 6₃ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	165.340, 165.340, 76.810, 90.00, 90.00, 120.00
*R / R_free (%)*	18.2 / 22.1

Other elements in 4tt5:

The structure of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole (pdb code 4tt5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole, PDB code: 4tt5:

Bromine binding site 1 out of 1 in 4tt5

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Bromine Binding Sites List in 4tt5

Bromine binding site 1 out of 1 in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Bromophenyl)-1H Imidazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br402 b:39.5 occ:0.59	BR	A:36Y402	0.0	39.5	0.6
	C9	A:36Y402	1.9	42.3	1.0
	C10	A:36Y402	2.9	42.6	1.0
	C8	A:36Y402	2.9	35.9	1.0
	N	A:PHE153	3.5	43.7	1.0
	C	A:ALA152	3.6	43.2	1.0
	CG1	A:VAL353	3.8	34.4	1.0
	CB	A:VAL353	3.9	38.5	1.0
	O	A:ALA152	4.0	42.2	1.0
	CA	A:PHE153	4.0	46.8	1.0
	CG2	A:ILE161	4.0	45.5	1.0
	C11	A:36Y402	4.2	40.1	1.0
	CA	A:ALA152	4.2	45.3	1.0
	C7	A:36Y402	4.2	39.1	1.0
	CB	A:ILE161	4.3	46.0	1.0
	CG	A:LEU354	4.4	40.8	1.0
	CG2	A:VAL353	4.4	41.6	1.0
	N	A:ALA152	4.5	41.5	1.0
	O	A:HOH656	4.5	40.9	1.0
	CB	A:PHE153	4.5	49.0	1.0
	CD2	A:LEU354	4.5	41.3	1.0
	C6	A:36Y402	4.7	32.4	1.0
	CD1	A:LEU354	4.7	45.6	1.0
	O	A:HOH585	4.8	45.0	1.0
	O	A:HOH626	4.9	48.2	1.0
	CA	A:ILE161	5.0	42.9	1.0

Reference:

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

Page generated: Wed Jul 10 22:38:27 2024

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