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Chlorine in PDB 4wp8: Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion

Enzymatic activity of Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion

All present enzymatic activity of Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion, PDB code: 4wp8 was solved by D.V.Barathy, N.G.Bharambe, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.96 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.970, 55.960, 54.070, 90.00, 106.35, 90.00
R / Rfree (%) 17.2 / 21.5

Other elements in 4wp8:

The structure of Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion (pdb code 4wp8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion, PDB code: 4wp8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4wp8

Go back to Chlorine Binding Sites List in 4wp8
Chlorine binding site 1 out of 2 in the Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion


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 Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:24.8
occ:1.00
 NE2 A:GLN172 3.2 26.4 1.0
NE A:ARG168 3.2 22.0 1.0
NH2 A:ARG168 3.3 24.6 1.0
N A:LYS205 3.3 20.4 1.0
CZ A:ARG168 3.7 24.1 1.0
CA A:LEU204 3.7 21.0 1.0
C A:LEU204 4.0 20.9 1.0
CD2 A:LEU204 4.0 21.6 1.0
CB A:ARG168 4.0 18.1 1.0
CB A:LYS205 4.1 21.9 1.0
CD A:GLN172 4.1 24.2 1.0
O A:GLU203 4.1 22.3 1.0
CG A:GLN172 4.2 21.8 1.0
CB A:LEU204 4.2 20.7 1.0
CA A:LYS205 4.3 20.7 1.0
CD A:ARG168 4.3 21.0 1.0
O A:ARG168 4.3 15.6 1.0
CG A:ARG168 4.4 19.7 1.0
O A:HOH444 4.7 36.8 1.0
CA A:ARG168 4.7 16.7 1.0
CG A:LEU204 4.8 20.9 1.0
N A:LEU204 4.8 21.2 1.0
C A:ARG168 4.9 15.7 1.0
C A:GLU203 4.9 21.8 1.0

Chlorine binding site 2 out of 2 in 4wp8

Go back to Chlorine Binding Sites List in 4wp8
Chlorine binding site 2 out of 2 in the Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Adenylyl Cyclase MA1120 From Mycobacterium Avium in Complex with 2'5'-Dd-3'-Atp and Manganese Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:28.4
occ:1.00
 ND2 B:ASN133 3.3 20.7 1.0
NH2 B:ARG134 3.3 23.1 1.0
NH1 B:ARG129 3.9 29.4 1.0
NH1 B:ARG134 4.0 22.7 1.0
CZ B:ARG134 4.1 23.1 1.0
CG B:ARG130 4.2 27.2 1.0
CG B:ASN133 4.3 20.5 1.0
CB B:ASN133 4.3 19.5 1.0
CA B:ARG130 4.5 22.1 1.0
CB B:ARG130 4.7 24.5 1.0
NE B:ARG130 4.8 32.9 1.0

Reference:

D.V.Barathy, N.G.Bharambe, W.Syed, A.Zaveri, S.S.Visweswariah, M.Cola Sigmaf O, S.Misquith, K.Suguna. Autoinhibitory Mechanism and Activity-Related Structural Changes in A Mycobacterial Adenylyl Cyclase J.Struct.Biol. V. 190 304 2015.
ISSN: ESSN 1095-8657
PubMed: 25916753
DOI: 10.1016/J.JSB.2015.04.013
Page generated: Fri Jul 26 03:00:38 2024

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