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Magnesium in PDB 1u54: Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Enzymatic activity of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

All present enzymatic activity of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp:
2.7.1.112;

Protein crystallography data

The structure of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp, PDB code: 1u54 was solved by J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.71 / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 200.384, 42.332, 70.848, 90.00, 96.28, 90.00
R / Rfree (%) 22.2 / 32.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp (pdb code 1u54). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp, PDB code: 1u54:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1u54

Go back to Magnesium Binding Sites List in 1u54
Magnesium binding site 1 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg398

b:48.6
occ:1.00
O2G A:ACP101 2.1 49.8 1.0
OD1 A:ASP270 2.4 31.0 1.0
O2B A:ACP101 2.4 51.5 1.0
C3B A:ACP101 2.8 53.1 1.0
MG A:MG399 3.0 48.0 1.0
PG A:ACP101 3.0 56.9 1.0
PB A:ACP101 3.0 56.1 1.0
OD2 A:ASP270 3.1 37.2 1.0
CG A:ASP270 3.2 32.8 1.0
O3A A:ACP101 3.3 50.3 1.0
O1G A:ACP101 3.7 43.5 1.0
O3G A:ACP101 4.2 49.0 1.0
NZ A:LYS158 4.3 31.2 1.0
PA A:ACP101 4.4 54.4 1.0
O1A A:ACP101 4.4 51.5 1.0
O1B A:ACP101 4.5 57.4 1.0
CB A:ASP270 4.7 30.9 1.0
O2A A:ACP101 4.9 56.0 1.0

Magnesium binding site 2 out of 4 in 1u54

Go back to Magnesium Binding Sites List in 1u54
Magnesium binding site 2 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg399

b:48.0
occ:1.00
O3A A:ACP101 2.3 50.3 1.0
OD1 A:ASP270 2.4 31.0 1.0
O2G A:ACP101 2.5 49.8 1.0
O1G A:ACP101 2.5 43.5 1.0
O2A A:ACP101 2.6 56.0 1.0
ND2 A:ASN257 2.9 19.3 1.0
MG A:MG398 3.0 48.6 1.0
PG A:ACP101 3.0 56.9 1.0
PA A:ACP101 3.0 54.4 1.0
PB A:ACP101 3.5 56.1 1.0
CG A:ASP270 3.5 32.8 1.0
O1A A:ACP101 3.8 51.5 1.0
O2B A:ACP101 3.9 51.5 1.0
C3B A:ACP101 3.9 53.1 1.0
CG A:ASN257 4.0 25.6 1.0
CB A:ASP270 4.2 30.9 1.0
OD2 A:ASP270 4.3 37.2 1.0
O3G A:ACP101 4.3 49.0 1.0
OD1 A:ASN257 4.4 29.4 1.0
O5' A:ACP101 4.4 53.5 1.0
O1B A:ACP101 4.6 57.4 1.0
C5' A:ACP101 4.7 50.6 1.0

Magnesium binding site 3 out of 4 in 1u54

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Magnesium binding site 3 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg398

b:57.5
occ:1.00
OD1 B:ASP270 2.6 28.6 1.0
OD2 B:ASP270 2.7 30.4 1.0
O1G B:ACP400 2.9 52.2 1.0
CG B:ASP270 3.0 31.0 1.0
O2B B:ACP400 3.0 54.7 1.0
CA B:GLY272 4.1 26.9 1.0
OD2 B:ASP252 4.3 32.8 1.0
MG B:MG399 4.4 55.6 1.0
N B:GLY272 4.4 27.1 1.0
CB B:ASP270 4.4 29.1 1.0
PG B:ACP400 4.5 59.4 1.0
PB B:ACP400 4.5 58.5 1.0
NZ B:LYS158 4.7 26.5 1.0
CG B:LEU273 4.7 24.9 1.0
C B:GLY272 4.7 26.8 1.0
N B:LEU273 4.9 26.6 1.0

Magnesium binding site 4 out of 4 in 1u54

Go back to Magnesium Binding Sites List in 1u54
Magnesium binding site 4 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg399

b:55.6
occ:1.00
O3G B:ACP400 1.9 54.2 1.0
OD1 B:ASP270 2.5 28.6 1.0
OD1 B:ASN257 2.5 20.8 1.0
O2A B:ACP400 2.6 47.5 1.0
PG B:ACP400 2.7 59.4 1.0
O1G B:ACP400 2.7 52.2 1.0
CG B:ASN257 3.3 22.9 1.0
ND2 B:ASN257 3.3 20.0 1.0
CG B:ASP270 3.6 31.0 1.0
C3B B:ACP400 3.6 53.2 1.0
O2B B:ACP400 3.7 54.7 1.0
OD2 B:ASP252 4.0 32.8 1.0
O2G B:ACP400 4.0 58.2 1.0
CB B:ASP270 4.0 29.1 1.0
PA B:ACP400 4.1 53.3 1.0
PB B:ACP400 4.3 58.5 1.0
NE B:ARG256 4.4 27.6 1.0
MG B:MG398 4.4 57.5 1.0
CD B:ARG256 4.5 28.0 1.0
CG B:ARG256 4.5 27.8 1.0
OD2 B:ASP270 4.7 30.4 1.0
CB B:ASN257 4.7 24.9 1.0
O3A B:ACP400 4.7 51.0 1.0
O1A B:ACP400 4.9 48.2 1.0

Reference:

J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout. Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1. J.Biol.Chem. V. 279 44039 2004.
ISSN: ISSN 0021-9258
PubMed: 15308621
DOI: 10.1074/JBC.M406703200
Page generated: Mon Dec 14 06:52:29 2020

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