Chlorine in PDB 7baq: Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)

Enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)

All present enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24):
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24), PDB code: 7baq was solved by M.Oebbeke, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.14 / 1.54
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	69.22, 73.334, 77.388, 90, 90, 90
*R / R_free (%)*	17.6 / 22

Other elements in 7baq:

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) also contains other interesting chemical elements:

Bromine

(Br)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) (pdb code 7baq). 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 Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24), PDB code: 7baq:

Chlorine binding site 1 out of 1 in 7baq

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Chlorine Binding Sites List in 7baq

Chlorine binding site 1 out of 1 in the Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl401 b:43.2 occ:1.00	CL	A:T82401	0.0	43.2	1.0
	C21	A:T82401	1.7	39.1	1.0
	C23	A:T82401	2.7	36.4	1.0
	C20	A:T82401	2.7	39.3	1.0
	HD21	A:LEU74	3.1	34.2	1.0
	HA3	A:GLY55	3.2	31.1	1.0
	HD23	A:LEU74	3.2	34.2	1.0
	HE2	A:LYS72	3.3	39.6	1.0
	HG3	A:LYS72	3.4	31.5	1.0
	CD2	A:LEU74	3.5	28.5	1.0
	O	A:HOH635	3.5	35.5	1.0
	O	A:HOH652	3.5	40.7	1.0
	HD22	A:LEU74	3.6	34.2	1.0
	C	A:GLY55	3.6	25.0	1.0
	N	A:ARG56	3.8	24.9	1.0
	CA	A:GLY55	3.8	25.9	1.0
	H	A:ARG56	3.9	29.9	1.0
	HG23	A:VAL57	3.9	30.5	1.0
	C19	A:T82401	4.0	39.0	1.0
	C17	A:T82401	4.0	34.3	1.0
	O	A:GLY55	4.0	26.4	1.0
	HD3	A:LYS72	4.1	35.3	1.0
	CG	A:LYS72	4.1	26.2	1.0
	CE	A:LYS72	4.2	33.0	1.0
	HG2	A:LYS72	4.2	31.5	1.0
	N	A:GLY55	4.2	27.1	1.0
	H	A:GLY55	4.3	32.6	1.0
	HA	A:ARG56	4.3	30.7	1.0
	CD	A:LYS72	4.3	29.4	1.0
	O	A:ARG56	4.4	24.9	1.0
	HZ3	A:LYS72	4.4	40.3	1.0
	CA	A:ARG56	4.4	25.6	1.0
	HA3	A:GLY52	4.4	46.0	1.0
	C	A:ARG56	4.4	25.2	1.0
	C18	A:T82401	4.5	37.1	1.0
	HG22	A:VAL57	4.6	30.5	1.0
	HA2	A:GLY55	4.6	31.1	1.0
	CG2	A:VAL57	4.7	25.4	1.0
	HE1	A:PHE54	4.7	38.2	1.0
	H	A:GLY52	4.8	44.6	1.0
	NZ	A:LYS72	4.8	33.6	1.0
	O	A:ILE73	4.8	24.9	1.0
	HE3	A:LYS72	4.9	39.6	1.0
	CE1	A:PHE54	4.9	31.8	1.0
	CG	A:LEU74	4.9	27.6	1.0
	HD1	A:PHE54	5.0	37.1	1.0

Reference:

M.Oebbeke, H.Koester, S.Brass, H.-D.Gerber, A.Heine, G.Klebe. Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) To Be Published.

Page generated: Mon Jul 29 19:04:23 2024

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