Atomistry » Calcium » PDB 5odc-5oyj » 5oxg
Atomistry »
  Calcium »
    PDB 5odc-5oyj »
      5oxg »

Calcium in PDB 5oxg: Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854

Enzymatic activity of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854

All present enzymatic activity of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854:
2.7.11.30;

Protein crystallography data

The structure of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854, PDB code: 5oxg was solved by E.P.Williams, F.J.Sorrell, J.Kopec, R.P.Nowak, K.Kupinska, F.Von Delft, N.Burgess-Brown, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.N.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.65 / 2.13
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.860, 102.201, 177.300, 90.00, 93.96, 90.00
R / Rfree (%) 20.6 / 23.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 (pdb code 5oxg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854, PDB code: 5oxg:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 1 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:96.1
occ:1.00
 OD2 A:ASP269 3.2 59.2 1.0
CG2 A:THR203 3.4 0.4 1.0
OD1 A:ASP269 3.4 57.5 1.0
CG2 A:THR271 3.5 61.6 1.0
O A:MET270 3.5 45.7 1.0
CG A:ASP269 3.6 52.4 1.0
CB A:THR203 4.3 0.7 1.0
C A:MET270 4.4 49.0 1.0
N A:MET270 4.7 45.0 1.0
CB A:ASP269 4.9 47.0 1.0
CB A:THR271 4.9 57.7 1.0
OG1 A:THR203 4.9 99.9 1.0

Calcium binding site 2 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 2 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:67.8
occ:1.00
 O A:GLU413 2.8 37.1 1.0
O A:LYS428 3.0 45.6 1.0
N A:LYS428 3.3 48.0 1.0
CD1 A:TYR427 3.3 46.5 1.0
CA A:GLU413 3.4 36.1 1.0
NE A:ARG416 3.5 53.4 1.0
C A:GLU413 3.5 38.1 1.0
CD A:ARG416 3.5 51.8 1.0
CE1 A:TYR427 3.6 46.1 1.0
CB A:ARG416 3.7 48.4 1.0
CA A:TYR427 3.8 47.9 1.0
C A:LYS428 3.9 44.7 1.0
CG A:TYR427 4.0 46.9 1.0
CB A:GLU413 4.0 38.0 1.0
C A:TYR427 4.0 47.8 1.0
CA A:LYS428 4.1 48.2 1.0
CG A:ARG416 4.2 50.9 1.0
O A:ASP426 4.2 51.3 1.0
CG A:ARG417 4.4 44.0 1.0
CB A:TYR427 4.4 47.3 1.0
CZ A:TYR427 4.5 44.6 1.0
CG A:GLU413 4.5 38.1 1.0
O A:TRP412 4.6 41.5 1.0
CD A:ARG417 4.6 44.5 1.0
N A:GLU413 4.6 37.0 1.0
CZ3 A:TRP412 4.7 43.3 1.0
CZ A:ARG416 4.7 54.4 1.0
CD2 A:TYR427 4.8 43.6 1.0
N A:TYR427 4.8 46.5 1.0
CB A:LYS428 4.8 50.4 1.0
N A:VAL414 4.8 39.3 1.0
C A:ASP426 4.9 49.9 1.0
CE3 A:TRP412 4.9 41.6 1.0
CE2 A:TYR427 5.0 44.2 1.0

Calcium binding site 3 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 3 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:0.4
occ:1.00
 O B:GLU413 2.6 37.8 1.0
CD1 B:TYR427 3.3 38.8 1.0
C B:GLU413 3.4 36.2 1.0
O B:LYS428 3.4 47.2 1.0
N B:LYS428 3.5 44.5 1.0
CA B:GLU413 3.5 35.5 1.0
NE B:ARG416 3.6 46.4 1.0
CB B:ARG416 3.6 40.5 1.0
CD B:ARG416 3.6 44.0 1.0
CA B:TYR427 3.7 41.3 1.0
CE1 B:TYR427 3.8 38.7 1.0
CG B:ARG417 3.9 38.3 1.0
CG B:TYR427 4.0 40.2 1.0
CB B:GLU413 4.1 34.9 1.0
O B:ASP426 4.1 48.1 1.0
C B:TYR427 4.1 44.5 1.0
CD B:ARG417 4.2 37.0 1.0
CG B:ARG416 4.2 42.8 1.0
C B:LYS428 4.3 45.9 1.0
CB B:TYR427 4.4 39.7 1.0
CA B:LYS428 4.5 47.0 1.0
O B:TRP412 4.5 38.9 1.0
N B:TYR427 4.6 43.8 1.0
N B:VAL414 4.7 33.7 1.0
CG B:GLU413 4.7 36.2 1.0
CZ B:TYR427 4.7 39.2 1.0
N B:GLU413 4.7 36.5 1.0
C B:ASP426 4.8 47.2 1.0
CA B:ARG416 4.8 40.4 1.0
CZ B:ARG416 4.8 51.2 1.0
N B:ARG417 4.9 38.0 1.0
CD2 B:TYR427 4.9 39.2 1.0

Calcium binding site 4 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 4 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:73.2
occ:1.00
 CB C:ALA205 3.9 47.7 1.0
CG2 C:THR271 3.9 45.0 1.0
CB C:GLN278 4.2 50.6 1.0
CB C:ASP269 4.2 42.4 1.0
CD2 C:TRP280 4.3 45.1 1.0
CG C:TRP280 4.3 40.5 1.0
CD1 C:TRP280 4.5 40.5 1.0
CE2 C:TRP280 4.5 44.6 1.0
O C:ASP269 4.5 40.6 1.0
O C:GLN278 4.5 43.1 1.0
O C:HOH613 4.5 46.4 1.0
NE1 C:TRP280 4.6 42.1 1.0
C C:ASP269 4.6 40.0 1.0
N C:THR271 4.6 42.8 1.0
CB C:THR271 4.7 44.3 1.0
CE3 C:TRP280 4.7 47.4 1.0
CB C:TRP280 4.8 40.1 1.0
CA C:MET270 4.8 42.1 1.0
C C:MET270 4.8 42.3 1.0
N C:MET270 4.9 39.1 1.0
CD C:GLN278 4.9 64.2 1.0
C C:GLN278 4.9 44.0 1.0
OE1 C:GLN278 4.9 65.3 1.0

Calcium binding site 5 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 5 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca503

b:0.9
occ:1.00
 O C:GLU413 2.9 44.1 1.0
O C:LYS428 2.9 43.2 1.0
N C:LYS428 3.2 50.7 1.0
CD1 C:TYR427 3.3 44.0 1.0
CA C:GLU413 3.4 40.9 1.0
NE C:ARG416 3.5 52.3 1.0
C C:GLU413 3.6 39.1 1.0
CD C:ARG416 3.6 48.0 1.0
CE1 C:TYR427 3.6 44.4 1.0
CA C:TYR427 3.8 47.5 1.0
CB C:ARG416 3.8 43.1 1.0
C C:LYS428 3.9 46.7 1.0
CB C:GLU413 4.0 42.4 1.0
CG C:TYR427 4.0 45.0 1.0
C C:TYR427 4.0 49.7 1.0
CA C:LYS428 4.1 51.0 1.0
CG C:ARG416 4.2 47.3 1.0
O C:ASP426 4.2 47.8 1.0
CG C:GLU413 4.4 41.3 1.0
CZ C:TYR427 4.4 45.2 1.0
CB C:TYR427 4.4 45.9 1.0
CG C:ARG417 4.4 46.8 1.0
O C:TRP412 4.6 43.0 1.0
CD C:ARG417 4.6 47.2 1.0
N C:GLU413 4.6 42.4 1.0
CZ3 C:TRP412 4.7 39.0 1.0
CD2 C:TYR427 4.7 44.5 1.0
CZ C:ARG416 4.8 53.6 1.0
N C:TYR427 4.8 48.9 1.0
CB C:LYS428 4.8 53.5 1.0
N C:VAL414 4.9 40.9 1.0
CE3 C:TRP412 4.9 36.6 1.0
CE2 C:TYR427 4.9 47.0 1.0
C C:ASP426 4.9 51.3 1.0

Calcium binding site 6 out of 6 in 5oxg

Go back to Calcium Binding Sites List in 5oxg
Calcium binding site 6 out of 6 in the Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the ACVR1 (ALK2) Kinase in Complex with Ldn- 212854 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca503

b:0.1
occ:1.00
 O D:GLU413 2.6 30.4 1.0
CD1 D:TYR427 3.3 37.2 1.0
O D:LYS428 3.4 36.1 1.0
C D:GLU413 3.4 28.6 1.0
N D:LYS428 3.5 41.1 1.0
CA D:GLU413 3.5 30.3 1.0
NE D:ARG416 3.6 39.5 1.0
CD D:ARG416 3.6 38.5 1.0
CB D:ARG416 3.6 34.8 1.0
CE1 D:TYR427 3.7 38.9 1.0
CA D:TYR427 3.7 41.0 1.0
CG D:ARG417 4.0 35.7 1.0
CB D:GLU413 4.0 30.8 1.0
CG D:TYR427 4.0 38.3 1.0
C D:TYR427 4.1 41.7 1.0
O D:ASP426 4.2 43.8 1.0
CG D:ARG416 4.2 37.1 1.0
C D:LYS428 4.3 39.8 1.0
CD D:ARG417 4.3 37.3 1.0
CB D:TYR427 4.4 40.5 1.0
CA D:LYS428 4.4 42.8 1.0
O D:TRP412 4.5 32.8 1.0
CG D:GLU413 4.6 31.2 1.0
CZ D:TYR427 4.7 40.4 1.0
N D:GLU413 4.7 30.9 1.0
N D:TYR427 4.7 39.8 1.0
N D:VAL414 4.7 30.1 1.0
C D:ASP426 4.8 45.9 1.0
CA D:ARG416 4.8 34.1 1.0
CZ D:ARG416 4.8 41.5 1.0
CD2 D:TYR427 4.9 37.8 1.0
N D:ARG417 5.0 36.4 1.0

Reference:

E.Williams, A.N.Bullock. Structural Basis For the Potent and Selective Binding of Ldn-212854 to the Bmp Receptor Kinase ALK2. Bone V. 109 251 2018.
ISSN: ISSN 1873-2763
PubMed: 28918311
DOI: 10.1016/J.BONE.2017.09.004
Page generated: Mon Jul 15 09:55:00 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy