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Arsenic 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:

Magnesium (Mg) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic 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 Arsenic atom.
In total 5 binding sites of Arsenic 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 Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in 3g2f

Go back to Arsenic Binding Sites List in 3g2f
Arsenic binding site 1 out of 5 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 Arsenic with other atoms in the As 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:As288

b:42.4
occ:0.30
 AS A:CAS288 0.0 42.4 0.3
SG A:CAS288 2.1 26.8 0.7
CB A:CAS288 3.1 24.6 1.0
C A:CAS288 3.3 24.5 1.0
N A:LYS289 3.4 24.7 1.0
O A:CAS288 3.6 25.3 1.0
CA A:LYS289 3.7 24.8 1.0
CA A:CAS288 3.8 24.3 1.0
CB A:LYS289 4.2 24.8 1.0
OG A:SER286 4.4 20.6 1.0
OG A:SER292 4.7 28.0 1.0
CG A:ARG337 4.7 18.8 1.0
CE2 A:TYR432 4.9 28.2 1.0
N A:CAS288 4.9 23.3 1.0
CG A:LYS289 5.0 27.1 1.0

Arsenic binding site 2 out of 5 in 3g2f

Go back to Arsenic Binding Sites List in 3g2f
Arsenic binding site 2 out of 5 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 Arsenic with other atoms in the As 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
A:As397

b:43.9
occ:0.30
 AS A:CAS397 0.0 43.9 0.3
SG A:CAS397 2.1 14.9 1.0
CB A:CAS397 3.3 7.6 1.0
CB A:LEU363 4.3 38.5 1.0
O A:ARG357 4.4 21.9 1.0
CD1 A:LEU363 4.4 36.6 1.0
O A:LEU358 4.4 24.0 1.0
CA A:LEU358 4.5 23.6 1.0
N A:VAL364 4.5 39.4 1.0
CD2 A:LEU358 4.6 21.3 1.0
CE A:MET356 4.6 32.0 1.0
CA A:CAS397 4.7 7.9 1.0
C A:LEU358 4.8 24.4 1.0
CG A:LEU363 4.8 37.6 1.0
C A:CAS397 5.0 6.6 1.0
CB A:VAL364 5.0 39.3 1.0

Arsenic binding site 3 out of 5 in 3g2f

Go back to Arsenic Binding Sites List in 3g2f
Arsenic binding site 3 out of 5 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 Arsenic with other atoms in the As binding site number 3 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:As496

b:45.6
occ:0.25
 AS A:CAS496 0.0 45.6 0.2
CE2 A:CAS496 2.0 44.7 1.0
CE1 A:CAS496 2.0 44.7 1.0
SG A:CAS496 2.2 32.9 0.6
NE A:ARG500 3.6 29.3 1.0
O A:CAS496 3.7 25.5 1.0
CB A:CAS496 3.7 26.2 1.0
CA A:CAS496 4.0 26.5 1.0
CG A:ARG500 4.1 26.4 1.0
CD A:ARG500 4.1 27.1 1.0
C A:CAS496 4.2 25.5 1.0
CZ A:ARG500 4.7 29.8 1.0
O A:HOH17 4.8 35.5 1.0
CB A:GLU499 4.8 26.1 1.0
NH2 A:ARG500 4.8 29.9 1.0
N A:ARG500 5.0 24.5 1.0
CG A:GLU499 5.0 30.7 1.0

Arsenic binding site 4 out of 5 in 3g2f

Go back to Arsenic Binding Sites List in 3g2f
Arsenic binding site 4 out of 5 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 Arsenic with other atoms in the As binding site number 4 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:As288

b:50.0
occ:0.60
 AS B:CAS288 0.0 50.0 0.6
SG B:CAS288 2.2 25.2 0.8
CB B:CAS288 3.2 23.2 1.0
C B:CAS288 3.5 23.1 1.0
N B:LYS289 3.7 23.3 1.0
O B:CAS288 3.8 23.1 1.0
CA B:CAS288 4.0 23.1 1.0
CA B:LYS289 4.0 23.7 1.0
CE B:MET434 4.4 28.6 1.0
CB B:LYS289 4.5 23.8 1.0
CG B:ARG337 4.5 14.0 1.0
OG B:SER286 4.7 18.3 1.0

Arsenic binding site 5 out of 5 in 3g2f

Go back to Arsenic Binding Sites List in 3g2f
Arsenic binding site 5 out of 5 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 Arsenic with other atoms in the As binding site number 5 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:As496

b:45.6
occ:0.20
 AS B:CAS496 0.0 45.6 0.2
CE1 B:CAS496 2.0 48.5 1.0
CE2 B:CAS496 2.0 47.6 1.0
SG B:CAS496 2.2 30.1 0.8
CB B:CAS496 3.4 21.4 1.0
CA B:CAS496 3.8 21.6 1.0
NH1 B:ARG500 4.1 33.0 1.0
O B:CAS496 4.3 20.6 1.0
C B:CAS496 4.5 20.6 1.0
CB B:GLU499 4.7 24.2 1.0
NH1 A:ARG474 4.7 17.1 0.5
CG B:GLU499 4.9 28.0 1.0
CZ B:ARG500 4.9 32.7 1.0
N B:CAS496 4.9 20.3 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: Sat Dec 12 01:40:09 2020

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