Chlorine in PDB 4cls: Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate

Enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate

All present enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate, PDB code: 4cls was solved by S.Kleinboelting, M.Weyand, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	86.68 / 1.85
*Space group*	P 6₃
*Cell size a, b, c (Å), α, β, γ (°)*	100.090, 100.090, 97.750, 90.00, 90.00, 120.00
*R / R_free (%)*	17.36 / 21.38

Other elements in 4cls:

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate (pdb code 4cls). 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 Human Soluble Adenylyl Cyclase with Pyrophosphate, PDB code: 4cls:

Chlorine binding site 1 out of 1 in 4cls

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Chlorine Binding Sites List in 4cls

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate

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 Human Soluble Adenylyl Cyclase with Pyrophosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1469 b:30.6 occ:1.00	NZ	A:LYS95	2.9	32.0	1.0
	O	A:HOH2076	3.1	29.8	1.0
	N	A:VAL167	3.4	23.0	1.0
	CA	A:LEU166	3.7	25.1	1.0
	CE	A:LYS95	3.7	35.3	1.0
	CB	A:LEU166	3.7	35.3	1.0
	CG2	A:VAL167	3.8	22.2	1.0
	CD	A:LYS95	3.8	35.8	1.0
	C	A:LEU166	4.1	24.8	1.0
	OXT	A:ACT1472	4.3	59.1	1.0
	CD2	A:LEU102	4.3	25.3	1.0
	CB	A:PHE336	4.5	42.2	1.0
	CA	A:VAL167	4.5	22.5	1.0
	O	A:PHE165	4.6	21.6	1.0
	O	A:VAL167	4.6	24.4	1.0
	O	A:VAL335	4.6	31.8	1.0
	CB	A:VAL167	4.6	21.0	1.0
	CE2	A:PHE165	4.7	25.2	1.0
	CA	A:PHE336	4.7	38.0	1.0
	CB	A:LYS95	4.8	25.3	1.0
	N	A:LEU166	4.9	22.7	1.0
	CG	A:LYS95	5.0	32.6	1.0

Reference:

S.Kleinboelting, A.Diaz, S.Moniot, J.Van Den Heuvel, M.Weyand, L.R.Levin, J.Buck, C.Steegborn. Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of Its Activation Through Bicarbonate. Proc.Natl.Acad.Sci.Usa V. 111 3727 2014.
ISSN: ISSN 0027-8424
PubMed: 24567411
DOI: 10.1073/PNAS.1322778111

Page generated: Sun Jul 21 11:21:06 2024

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