Atomistry » Magnesium » PDB 6ufg-6uok » 6unr
Atomistry »
  Magnesium »
    PDB 6ufg-6uok »
      6unr »

Magnesium in PDB 6unr: Kinase Domain of ALK2-K492A/K493A with Amppnp

Enzymatic activity of Kinase Domain of ALK2-K492A/K493A with Amppnp

All present enzymatic activity of Kinase Domain of ALK2-K492A/K493A with Amppnp:
2.7.11.30;

Protein crystallography data

The structure of Kinase Domain of ALK2-K492A/K493A with Amppnp, PDB code: 6unr was solved by C.Agnew, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.14 / 2.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.122, 87.124, 138.916, 90, 90, 90
R / Rfree (%) 24.4 / 30.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Kinase Domain of ALK2-K492A/K493A with Amppnp (pdb code 6unr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Kinase Domain of ALK2-K492A/K493A with Amppnp, PDB code: 6unr:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 1 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:65.7
occ:1.00
 MG A:MG509 2.6 67.5 1.0
OD1 A:ASN341 3.4 46.7 1.0
O2A A:ANP501 3.5 122.6 1.0
C8 A:ANP501 3.7 61.0 1.0
O A:LYS340 3.7 41.3 1.0
N7 A:ANP501 4.0 56.2 1.0
O A:HOH610 4.4 46.6 1.0
CA A:ASN341 4.4 44.9 1.0
CB A:ALA353 4.4 39.3 1.0
O3A A:ANP501 4.4 138.2 1.0
CG A:ASN341 4.5 49.4 1.0
PA A:ANP501 4.5 130.1 1.0
C2' A:ANP501 4.6 78.5 1.0
C A:LYS340 4.7 49.4 1.0
CB A:ASP354 4.7 37.4 1.0
N9 A:ANP501 4.7 68.5 1.0
CB A:ASN341 5.0 44.5 1.0
O2' A:ANP501 5.0 75.2 1.0

Magnesium binding site 2 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 2 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:76.1
occ:1.00
 O A:VAL435 2.5 79.4 1.0
NH1 A:ARG380 3.2 50.5 1.0
C A:PRO436 3.4 88.5 1.0
O A:TYR432 3.5 82.5 1.0
NH2 A:ARG380 3.5 53.0 1.0
N A:ASN437 3.6 93.0 1.0
O A:PRO436 3.6 92.8 1.0
C A:VAL435 3.6 77.9 1.0
CA A:TYR432 3.6 69.5 1.0
CZ A:ARG380 3.8 56.5 1.0
C A:TYR432 3.9 69.5 1.0
CA A:PRO436 4.0 82.2 1.0
CG2 A:VAL435 4.1 76.3 1.0
CA A:ASN437 4.1 94.3 1.0
O A:PHE431 4.2 65.8 1.0
N A:PRO436 4.2 79.6 1.0
CB A:TYR432 4.4 66.7 1.0
N A:TYR432 4.5 63.7 1.0
CA A:VAL435 4.7 76.8 1.0
C A:PHE431 4.7 67.2 1.0
N A:VAL435 4.8 72.2 1.0
CB A:ASN437 4.9 96.1 1.0
CB A:VAL435 5.0 77.4 1.0

Magnesium binding site 3 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 3 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:112.3
occ:1.00
 OE1 A:GLU250 3.2 58.0 1.0
CE2 A:PHE246 3.7 65.8 1.0
NH1 A:ARG247 3.8 43.5 1.0
CD2 A:PHE246 3.9 64.0 1.0
OD1 A:ASN372 4.0 83.1 1.0
CD A:GLU250 4.1 62.0 1.0
CA A:GLY371 4.2 69.3 1.0
OE2 A:GLU250 4.3 64.4 1.0
N A:ASN372 4.6 67.8 1.0
CD A:ARG247 4.6 50.1 1.0
CG A:ASN372 4.7 82.2 1.0
CZ A:ARG247 4.8 44.7 1.0
C A:GLY371 4.9 72.2 1.0
CZ A:PHE246 4.9 63.4 1.0

Magnesium binding site 4 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 4 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg505

b:84.3
occ:1.00
 O A:VAL255 2.4 78.7 1.0
O A:GLY328 2.6 81.4 1.0
C A:VAL255 3.1 75.2 1.0
CA A:VAL255 3.3 68.3 1.0
C A:GLY328 3.5 75.5 1.0
O A:THR254 3.6 82.4 1.0
CA A:LYS329 3.6 60.2 1.0
N A:LYS329 4.0 68.4 1.0
CG1 A:VAL255 4.0 70.2 1.0
CB A:LYS329 4.2 60.9 1.0
CB A:VAL255 4.3 62.9 1.0
N A:MET256 4.3 80.8 1.0
N A:VAL255 4.4 72.5 1.0
CD A:PRO330 4.4 54.0 1.0
C A:THR254 4.4 73.8 1.0
CB A:MET256 4.7 103.0 1.0
CA A:GLY328 4.8 80.0 1.0
C A:LYS329 4.8 59.3 1.0
N A:GLY328 4.9 95.2 1.0
CA A:MET256 4.9 95.7 1.0

Magnesium binding site 5 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 5 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg506

b:63.5
occ:1.00
 OD1 A:ASP354 2.6 53.3 1.0
OE1 A:GLU248 2.9 75.0 1.0
CG A:ASP354 3.4 50.2 1.0
NH2 A:ARG375 3.4 57.1 1.0
CE2 A:PHE237 3.5 48.3 1.0
NZ A:LYS235 3.6 73.4 1.0
CD A:GLU248 3.7 73.5 1.0
OD2 A:ASP354 3.7 54.4 1.0
CB A:SER244 3.7 45.8 1.0
CA A:GLY356 3.8 38.6 1.0
CZ A:PHE237 3.8 47.7 1.0
CG A:GLU248 3.9 58.1 1.0
N A:GLY356 4.0 40.5 1.0
CE A:LYS235 4.3 62.0 1.0
OG A:SER244 4.4 48.6 1.0
CZ A:ARG375 4.4 58.6 1.0
CB A:ASP354 4.5 37.4 1.0
O A:SER244 4.5 46.7 1.0
NH1 A:ARG375 4.5 53.9 1.0
CA A:ASP354 4.6 42.6 1.0
C A:SER244 4.6 49.9 1.0
CA A:SER244 4.7 42.9 1.0
CD2 A:PHE237 4.7 46.0 1.0
OD2 A:ASP241 4.8 87.5 1.0
OE2 A:GLU248 4.8 79.0 1.0
O A:HOH610 4.8 46.6 1.0
CD A:LYS235 4.9 51.1 1.0
C A:ASP354 4.9 49.4 1.0
N A:LEU355 5.0 52.7 1.0

Magnesium binding site 6 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 6 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg507

b:70.9
occ:1.00
 N A:ASP354 2.5 45.5 1.0
OE2 A:GLU248 2.7 79.0 1.0
O A:HOH610 3.0 46.6 1.0
OH A:TYR252 3.1 51.3 1.0
CA A:ASP354 3.3 42.6 1.0
CD2 A:LEU263 3.5 53.8 1.0
C A:ALA353 3.5 44.0 1.0
CA A:ALA353 3.6 40.1 1.0
CD A:GLU248 3.7 73.5 1.0
CB A:ALA353 3.7 39.3 1.0
OE1 A:GLU248 3.9 75.0 1.0
CE2 A:TYR252 3.9 43.3 1.0
CZ A:TYR252 3.9 55.3 1.0
N A:LEU355 4.0 52.7 1.0
C A:ASP354 4.1 49.4 1.0
CB A:LEU263 4.3 48.6 1.0
CG A:LEU263 4.4 57.2 1.0
CD2 A:LEU281 4.4 42.6 1.0
CB A:ASP354 4.6 37.4 1.0
O A:ALA353 4.6 44.3 1.0
CG2 A:THR283 4.9 46.9 1.0
N A:ALA353 5.0 44.2 1.0

Magnesium binding site 7 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 7 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg508

b:62.1
occ:1.00
 O A:LYS216 3.0 84.3 1.0
O2B A:ANP501 3.2 125.5 1.0
C A:LYS216 3.4 98.7 1.0
N A:LYS216 3.9 81.0 1.0
N A:GLY217 4.0 121.3 1.0
NZ A:LYS340 4.0 77.9 1.0
CA A:GLY217 4.0 120.6 1.0
CA A:LYS216 4.2 79.6 1.0
O1B A:ANP501 4.3 128.8 1.0
PB A:ANP501 4.3 132.1 1.0
O5' A:ANP501 4.4 121.9 1.0
C5' A:ANP501 4.6 106.0 1.0
CB A:LYS216 4.8 70.0 1.0
C A:GLY215 4.9 79.7 1.0
CA A:GLY215 5.0 74.1 1.0

Magnesium binding site 8 out of 8 in 6unr

Go back to Magnesium Binding Sites List in 6unr
Magnesium binding site 8 out of 8 in the Kinase Domain of ALK2-K492A/K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Kinase Domain of ALK2-K492A/K493A with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg509

b:67.5
occ:1.00
 MG A:MG502 2.6 65.7 1.0
OD1 A:ASN341 2.6 46.7 1.0
OD2 A:ASP354 3.3 54.4 1.0
O3A A:ANP501 3.3 138.2 1.0
O2A A:ANP501 3.3 122.6 1.0
O1G A:ANP501 3.4 130.5 1.0
NZ A:LYS235 3.6 73.4 1.0
CG A:ASN341 3.8 49.4 1.0
CB A:ASP354 3.9 37.4 1.0
CG A:ASP354 3.9 50.2 1.0
PA A:ANP501 4.0 130.1 1.0
N3B A:ANP501 4.2 132.3 1.0
PB A:ANP501 4.3 132.1 1.0
ND2 A:ASN341 4.4 53.0 1.0
PG A:ANP501 4.4 129.0 1.0
O A:HOH610 4.6 46.6 1.0
O A:LYS340 4.7 41.3 1.0
CE A:LYS235 4.9 62.0 1.0
O1B A:ANP501 4.9 128.8 1.0
O1A A:ANP501 5.0 131.5 1.0
CB A:ASN341 5.0 44.5 1.0

Reference:

C.Agnew, N.Jura. Kinase Domain of ALK2-K492A/K493A with Amppnp To Be Published.
Page generated: Tue Oct 1 21:08:43 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