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Manganese 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:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese 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 Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4wp8

Go back to Manganese Binding Sites List in 4wp8
Manganese 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 Manganese with other atoms in the Mn 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:Mn301

b:14.4
occ:1.00
 OD1 A:ASP61 2.1 17.0 1.0
OD2 A:ASP105 2.1 15.7 1.0
O3G A:ZDA303 2.1 19.4 1.0
O2B A:ZDA303 2.2 14.2 1.0
O2A A:ZDA303 2.2 16.1 1.0
O A:ILE62 2.2 14.2 1.0
CG A:ASP61 3.1 17.2 1.0
CG A:ASP105 3.2 15.1 1.0
PB A:ZDA303 3.3 15.4 1.0
PA A:ZDA303 3.3 16.4 1.0
C A:ILE62 3.3 14.6 1.0
PG A:ZDA303 3.4 19.5 1.0
O A:HOH503 3.5 10.4 1.0
OD2 A:ASP61 3.5 21.6 1.0
O3A A:ZDA303 3.6 16.7 1.0
O A:HOH401 3.6 15.9 1.0
OD1 A:ASP105 3.6 15.2 1.0
O3B A:ZDA303 3.7 18.0 1.0
N A:ILE62 3.9 14.1 1.0
OG A:SER65 4.0 14.3 1.0
O2G A:ZDA303 4.1 20.2 1.0
CA A:ILE62 4.1 14.1 1.0
NH1 A:ARG143 4.2 27.7 1.0
O1A A:ZDA303 4.2 20.9 1.0
C A:ASP61 4.3 14.1 1.0
N A:GLU63 4.4 15.1 1.0
CB A:ASP61 4.4 15.4 1.0
CB A:SER65 4.5 14.3 1.0
CB A:ASP105 4.5 14.8 1.0
N A:SER65 4.5 14.7 1.0
N A:GLU64 4.5 15.8 1.0
O3' A:ZDA303 4.5 17.6 1.0
O A:HOH448 4.6 19.8 1.0
O1G A:ZDA303 4.6 19.3 1.0
O1B A:ZDA303 4.6 15.4 1.0
CA A:GLU63 4.6 16.1 1.0
CA A:ASP61 4.7 14.4 1.0
CB A:ILE62 4.7 14.3 1.0
O A:ASP61 4.8 14.1 1.0
C A:GLU63 4.8 15.5 1.0

Manganese binding site 2 out of 2 in 4wp8

Go back to Manganese Binding Sites List in 4wp8
Manganese 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 Manganese with other atoms in the Mn 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:Mn301

b:14.4
occ:1.00
 O3G B:ZDA302 2.0 13.7 0.5
O1B B:ZDA302 2.1 12.3 0.5
OD2 B:ASP105 2.2 15.4 1.0
OD1 B:ASP61 2.2 16.1 1.0
O B:ILE62 2.2 13.6 1.0
O1A B:ZDA302 2.2 14.7 0.5
O1A B:ZDA302 2.3 13.2 0.5
O1B B:ZDA302 2.4 13.8 0.5
O3G B:ZDA302 2.4 15.8 0.5
PB B:ZDA302 3.1 12.3 0.5
CG B:ASP61 3.2 18.1 1.0
CG B:ASP105 3.2 15.2 1.0
PG B:ZDA302 3.2 13.8 0.5
PB B:ZDA302 3.4 14.7 0.5
C B:ILE62 3.4 14.7 1.0
PA B:ZDA302 3.5 15.0 0.5
PA B:ZDA302 3.5 13.9 0.5
O3B B:ZDA302 3.5 12.9 0.5
O B:HOH403 3.6 17.8 1.0
O3A B:ZDA302 3.6 12.8 0.5
OD1 B:ASP105 3.6 14.7 1.0
PG B:ZDA302 3.6 16.2 0.5
OD2 B:ASP61 3.6 21.0 1.0
O3A B:ZDA302 3.7 14.7 0.5
O3B B:ZDA302 3.8 15.4 0.5
N B:ILE62 3.9 14.2 1.0
O1G B:ZDA302 4.0 14.4 0.5
OG B:SER65 4.0 17.7 1.0
NH1 B:ARG143 4.1 25.2 1.0
CA B:ILE62 4.2 14.9 1.0
O2A B:ZDA302 4.3 15.5 0.5
C B:ASP61 4.3 14.8 1.0
O1G B:ZDA302 4.3 16.6 0.5
O2G B:ZDA302 4.4 13.9 0.5
N B:GLU63 4.4 16.0 1.0
CB B:ASP61 4.5 15.8 1.0
CB B:SER65 4.5 16.6 1.0
O2B B:ZDA302 4.5 12.5 0.5
O3' B:ZDA302 4.5 13.5 0.5
N B:SER65 4.5 16.7 1.0
CB B:ASP105 4.5 15.0 1.0
N B:GLU64 4.5 17.2 1.0
O2A B:ZDA302 4.6 13.1 0.5
C3' B:ZDA302 4.6 14.0 0.5
CA B:GLU63 4.6 17.8 1.0
CB B:ILE62 4.7 14.9 1.0
CA B:ASP61 4.7 15.2 1.0
O3' B:ZDA302 4.7 15.8 0.5
O2B B:ZDA302 4.7 13.9 0.5
O2G B:ZDA302 4.7 16.2 0.5
C B:GLU63 4.8 17.8 1.0
O B:ASP61 4.8 15.9 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: Tue Dec 15 04:33:00 2020

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