Atomistry » Arsenic » PDB 2xod-3g2f » 3g2f
Atomistry »
  Arsenic »
    PDB 2xod-3g2f »
      3g2f »

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: Sun Jul 6 23:22:56 2025

Last articles

Br in 1QH5
Br in 1P2X
Br in 1P5E
Br in 1Q3O
Br in 1PTH
Br in 1PWL
Br in 1P54
Br in 1PGN
Br in 1OVL
Br in 1OSY
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy