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Magnesium in PDB 3g2f: Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution

Enzymatic activity of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution

All present enzymatic activity of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution:
2.7.11.30;

Protein crystallography data

The structure of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution, PDB code: 3g2f was solved by A.Chaikuad, C.Thangaratnarajah, A.K.Roos, P.Filippakopoulos, E.Salah, C.Phillips, T.Keates, O.Fedorov, R.Chalk, K.Petrie, A.C.W.Pike, F.Vondelft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.35 / 2.35
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.540, 218.793, 44.187, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 24.6

Other elements in 3g2f:

The structure of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution also contains other interesting chemical elements:

Arsenic (As) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution (pdb code 3g2f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution, PDB code: 3g2f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3g2f

Go back to Magnesium Binding Sites List in 3g2f
Magnesium binding site 1 out of 2 in the Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg901

b:40.5
occ:1.00
 OD2 A:ASP351 1.9 15.8 1.0
O A:HOH119 2.0 23.1 1.0
O A:HOH76 2.1 18.7 1.0
O2A A:ADP900 2.1 42.4 1.0
O2B A:ADP900 2.1 50.0 1.0
OD1 A:ASN338 2.2 19.8 1.0
CG A:ASP351 3.0 17.5 1.0
PB A:ADP900 3.1 49.8 1.0
PA A:ADP900 3.3 40.8 1.0
CG A:ASN338 3.3 21.1 1.0
O3B A:ADP900 3.3 46.9 1.0
O3A A:ADP900 3.5 42.8 1.0
CB A:ASP351 3.7 17.8 1.0
ND2 A:ASN338 3.7 22.6 1.0
OD1 A:ASP351 4.1 14.1 1.0
O A:HOH77 4.2 31.4 1.0
O1A A:ADP900 4.3 41.8 1.0
O A:HOH62 4.3 25.4 1.0
O5' A:ADP900 4.4 38.4 1.0
O1B A:ADP900 4.4 51.1 1.0
C5' A:ADP900 4.5 35.8 1.0
CB A:ASN338 4.6 19.8 1.0
O A:ARG337 4.7 19.8 1.0
CA A:ASN338 4.8 20.7 1.0
C A:ARG337 4.9 19.5 1.0
O3' A:ADP900 4.9 32.9 1.0

Magnesium binding site 2 out of 2 in 3g2f

Go back to Magnesium Binding Sites List in 3g2f
Magnesium binding site 2 out of 2 in the Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein Receptor Type II (BMPR2) at 2.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg901

b:47.2
occ:1.00
 O2B B:ADP900 2.0 63.5 1.0
OD2 B:ASP351 2.0 17.6 1.0
O2A B:ADP900 2.1 56.5 1.0
OD1 B:ASN338 2.2 18.3 1.0
PB B:ADP900 3.2 61.1 1.0
CG B:ASN338 3.2 15.7 1.0
CG B:ASP351 3.2 21.1 1.0
PA B:ADP900 3.4 53.9 1.0
O3B B:ADP900 3.5 60.6 1.0
ND2 B:ASN338 3.6 15.0 1.0
O3A B:ADP900 3.7 55.9 1.0
CB B:ASP351 3.8 21.6 1.0
OD1 B:ASP351 4.2 20.8 1.0
C5' B:ADP900 4.3 48.0 1.0
O5' B:ADP900 4.4 50.9 1.0
O1B B:ADP900 4.4 62.7 1.0
CB B:ASN338 4.5 16.1 1.0
O B:ARG337 4.6 15.9 1.0
O1A B:ADP900 4.6 54.6 1.0
CA B:GLY212 4.6 23.2 1.0
CA B:ASN338 4.8 16.0 1.0
C B:ARG337 4.8 16.0 1.0
N B:ARG213 4.8 24.0 1.0
N B:ASN338 4.9 16.4 1.0
O3' B:ADP900 4.9 46.5 1.0

Reference:

A.Chaikuad, C.Thangaratnarajah, F.Von Delft, A.N.Bullock. Structural Consequences of BMPR2 Kinase Domain Mutations Causing Pulmonary Arterial Hypertension. Sci Rep V. 9 18351 2019.
ISSN: ESSN 2045-2322
PubMed: 31797984
DOI: 10.1038/S41598-019-54830-7
Page generated: Wed Aug 14 14:01:33 2024

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