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Magnesium in PDB 2bw7: A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen

Enzymatic activity of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen

All present enzymatic activity of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen:
4.6.1.1;

Protein crystallography data

The structure of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen, PDB code: 2bw7 was solved by C.Steegborn, T.N.Litvin, K.C.Hess, A.B.Capper, R.Taussig, J.Buck, L.R.Levin, H.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.0 / 2.3
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.400, 70.200, 106.700, 90.00, 96.00, 90.00
R / Rfree (%) 20.7 / 25.7

Other elements in 2bw7:

The structure of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen (pdb code 2bw7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen, PDB code: 2bw7:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2bw7

Go back to Magnesium Binding Sites List in 2bw7
Magnesium binding site 1 out of 4 in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2201

b:6.5
occ:1.00
 O1G A:APC2200 2.1 23.8 1.0
OD2 A:ASP1017 2.1 18.5 1.0
O2 A:ECS2203 2.2 32.0 1.0
O B:HOH2036 2.3 16.2 1.0
O3 A:ECS2203 2.5 31.2 1.0
O2B A:APC2200 2.5 22.9 1.0
C2 A:ECS2203 3.1 31.3 1.0
C3 A:ECS2203 3.2 31.1 1.0
CG A:ASP1017 3.2 15.6 1.0
PG A:APC2200 3.4 31.7 1.0
PB A:APC2200 3.6 23.0 1.0
OD1 A:ASP1017 3.6 17.8 1.0
CA A:CA2202 3.7 31.2 1.0
O3B A:APC2200 3.9 28.0 1.0
O3G A:APC2200 3.9 33.2 1.0
C3A A:APC2200 4.1 30.9 1.0
OE2 A:GLU1153 4.3 22.4 1.0
C1 A:ECS2203 4.4 31.3 1.0
CB A:ASP1017 4.5 16.8 1.0
NH1 A:ARG1117 4.5 22.0 1.0
O2G A:APC2200 4.6 27.3 1.0
C4 A:ECS2203 4.6 30.1 1.0
O A:HOH2036 4.6 35.1 1.0
C5' A:APC2200 4.6 53.8 1.0
O17 B:ECS2203 4.6 22.2 1.0
OE1 A:GLN1152 4.6 18.3 1.0
C18 B:ECS2203 4.7 22.3 1.0
O2A A:APC2200 4.7 35.5 1.0
O A:HOH2017 4.7 24.2 1.0
PA A:APC2200 4.8 33.9 1.0
O5' A:APC2200 4.8 42.8 1.0
O1B A:APC2200 4.9 24.7 1.0

Magnesium binding site 2 out of 4 in 2bw7

Go back to Magnesium Binding Sites List in 2bw7
Magnesium binding site 2 out of 4 in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2201

b:13.1
occ:1.00
 O2 B:ECS2203 2.0 36.4 1.0
O1G B:APC2200 2.1 34.4 1.0
OD2 B:ASP1017 2.3 19.1 1.0
O A:HOH2047 2.3 14.9 1.0
O2B B:APC2200 2.6 31.1 1.0
O3 B:ECS2203 2.7 35.2 1.0
C2 B:ECS2203 3.0 33.0 1.0
C3 B:ECS2203 3.2 33.0 1.0
CG B:ASP1017 3.3 20.5 1.0
PG B:APC2200 3.4 36.8 1.0
CA B:CA2202 3.4 36.6 1.0
PB B:APC2200 3.5 30.3 1.0
C3A B:APC2200 3.7 36.2 1.0
OD1 B:ASP1017 3.7 21.8 1.0
O3B B:APC2200 3.9 35.2 1.0
O3G B:APC2200 3.9 37.3 1.0
C1 B:ECS2203 4.3 31.8 1.0
NH1 B:ARG1117 4.4 28.8 1.0
CB B:ASP1017 4.5 21.1 1.0
O17 A:ECS2203 4.6 32.3 1.0
O2G B:APC2200 4.6 35.9 1.0
C4 B:ECS2203 4.7 31.2 1.0
OE1 B:GLN1152 4.7 25.6 1.0
OE2 B:GLU1153 4.7 32.5 1.0
C18 A:ECS2203 4.7 28.1 1.0
PA B:APC2200 4.7 35.4 1.0
O2A B:APC2200 4.8 35.3 1.0
O5' B:APC2200 4.9 47.9 1.0
O1B B:APC2200 4.9 29.0 1.0

Magnesium binding site 3 out of 4 in 2bw7

Go back to Magnesium Binding Sites List in 2bw7
Magnesium binding site 3 out of 4 in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg2201

b:14.4
occ:1.00
 O C:HOH2017 2.2 32.8 1.0
O2A C:APC2200 2.3 47.0 1.0
O C:HOH2018 2.4 19.5 1.0
OD2 C:ASP1017 2.6 31.9 1.0
O1G C:APC2200 2.6 30.8 1.0
O3G C:APC2200 3.1 34.7 1.0
PG C:APC2200 3.4 33.8 1.0
PA C:APC2200 3.5 45.8 1.0
C3A C:APC2200 3.6 43.1 1.0
CG C:ASP1017 3.8 30.0 1.0
O C:HOH2030 3.8 23.8 1.0
O C:HOH2019 4.0 37.0 1.0
CA C:CA2202 4.0 23.6 1.0
O1A C:APC2200 4.2 44.4 1.0
OD1 C:ASP1017 4.3 35.3 1.0
OE2 C:GLU1153 4.4 42.3 1.0
O3B C:APC2200 4.5 37.5 1.0
NE2 C:GLN1152 4.5 28.3 1.0
O2G C:APC2200 4.6 33.4 1.0
PB C:APC2200 4.6 37.3 1.0
O5' C:APC2200 4.7 45.6 1.0
CG C:GLU1153 4.8 40.3 1.0
OE1 C:GLN1152 4.9 31.9 1.0
CB C:ASP1017 4.9 28.4 1.0
O2B C:APC2200 5.0 40.0 1.0
CD C:GLU1153 5.0 40.7 1.0

Magnesium binding site 4 out of 4 in 2bw7

Go back to Magnesium Binding Sites List in 2bw7
Magnesium binding site 4 out of 4 in the A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2201

b:22.6
occ:1.00
 O D:HOH2016 2.1 20.4 1.0
O3G D:APC2200 2.2 42.4 1.0
O D:HOH2022 2.3 20.5 1.0
OD2 D:ASP1017 2.3 29.5 1.0
O2A D:APC2200 2.4 41.6 1.0
PG D:APC2200 3.5 41.9 1.0
CG D:ASP1017 3.5 29.5 1.0
PA D:APC2200 3.7 43.5 1.0
O D:HOH2012 3.7 23.2 1.0
O2G D:APC2200 3.8 45.1 1.0
CA D:CA2202 4.0 32.1 1.0
OD1 D:ASP1017 4.1 32.6 1.0
O1A D:APC2200 4.1 42.1 1.0
OE2 D:GLU1153 4.2 43.0 1.0
C3A D:APC2200 4.2 41.7 1.0
O D:HOH2023 4.4 39.3 1.0
O3B D:APC2200 4.4 40.5 1.0
NE2 D:GLN1152 4.6 38.4 1.0
O1G D:APC2200 4.6 41.9 1.0
CB D:ASP1017 4.6 28.6 1.0
PB D:APC2200 4.9 39.0 1.0
CG D:GLU1153 4.9 40.9 1.0
O5' D:APC2200 5.0 44.2 1.0
CD D:GLU1153 5.0 42.8 1.0
OE1 D:GLN1152 5.0 42.4 1.0

Reference:

C.Steegborn, T.N.Litvin, K.C.Hess, A.B.Capper, R.Taussig, J.Buck, L.R.Levin, H.Wu. A Novel Mechanism For Adenylyl Cyclase Inhibition From the Crystal Structure of Its Complex with Catechol Estrogen J.Biol.Chem. V. 280 31754 2005.
ISSN: ISSN 0021-9258
PubMed: 16002394
DOI: 10.1074/JBC.M507144200
Page generated: Mon Dec 14 07:17:44 2020

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