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Magnesium in PDB 4lgd: Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5

Enzymatic activity of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5

All present enzymatic activity of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5:
2.7.11.1;

Protein crystallography data

The structure of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5, PDB code: 4lgd was solved by X.Luo, L.Ni, D.R.Tomchick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.05
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.403, 237.136, 95.862, 90.00, 100.70, 90.00
R / Rfree (%) 19.9 / 24.4

Other elements in 4lgd:

The structure of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 (pdb code 4lgd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5, PDB code: 4lgd:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4lgd

Go back to Magnesium Binding Sites List in 4lgd
Magnesium binding site 1 out of 4 in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:0.5
occ:1.00
 O2B A:ANP501 2.1 0.4 1.0
OD2 A:ASP164 2.1 0.9 1.0
OD1 A:ASP164 2.2 0.7 1.0
O1A A:ANP501 2.2 0.5 1.0
HOB2 A:ANP501 2.3 0.8 1.0
CG A:ASP164 2.4 0.5 1.0
O3G A:ANP501 3.2 0.5 1.0
PA A:ANP501 3.6 0.1 1.0
PB A:ANP501 3.6 0.2 1.0
HOG3 A:ANP501 3.7 0.2 1.0
O1G A:ANP501 3.9 0.2 1.0
CB A:ASP164 3.9 0.4 1.0
HZ2 A:LYS56 4.0 0.5 1.0
PG A:ANP501 4.0 0.8 1.0
H3' A:ANP501 4.1 0.4 1.0
O3A A:ANP501 4.1 0.4 1.0
O5' A:ANP501 4.2 0.2 1.0
HB3 A:ASP164 4.2 0.3 1.0
H8 A:ANP501 4.3 0.2 1.0
HB2 A:ASP164 4.4 0.3 1.0
O1B A:ANP501 4.5 0.3 1.0
N3B A:ANP501 4.5 0.8 1.0
HA A:ASP164 4.6 0.4 1.0
O2A A:ANP501 4.7 0.9 1.0
H A:ASP164 4.7 0.2 1.0
CA A:ASP164 4.8 0.2 1.0
NZ A:LYS56 4.8 0.4 1.0
HZ1 A:LYS56 4.8 0.5 1.0
HE1 A:MET99 4.9 1.0 1.0
C3' A:ANP501 5.0 0.2 1.0
N A:ASP164 5.0 0.5 1.0

Magnesium binding site 2 out of 4 in 4lgd

Go back to Magnesium Binding Sites List in 4lgd
Magnesium binding site 2 out of 4 in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:0.9
occ:1.00
 OD1 B:ASP164 2.1 0.4 1.0
OD2 B:ASP164 2.2 0.6 1.0
O2A B:ANP501 2.3 0.7 1.0
CG B:ASP164 2.5 0.9 1.0
O2B B:ANP501 2.5 0.5 1.0
HOB2 B:ANP501 2.9 0.6 1.0
HZ2 B:LYS56 3.2 0.7 1.0
PA B:ANP501 3.6 99.3 1.0
PB B:ANP501 3.9 77.9 1.0
CB B:ASP164 4.0 81.2 1.0
NZ B:LYS56 4.0 0.1 1.0
H8 B:ANP501 4.0 0.7 1.0
O3A B:ANP501 4.1 0.1 1.0
HZ1 B:LYS56 4.1 0.7 1.0
O5' B:ANP501 4.1 71.7 1.0
HB2 B:ASP164 4.3 97.4 1.0
HE3 B:LYS56 4.4 0.3 1.0
HNB1 B:ANP501 4.4 0.2 1.0
HB3 B:ASP164 4.5 97.4 1.0
HA B:ASP164 4.5 81.5 1.0
H B:ASP164 4.5 0.5 1.0
HD2 B:LYS56 4.6 0.2 1.0
HZ3 B:LYS56 4.6 0.7 1.0
HB1 B:ALA163 4.6 61.1 1.0
C8 B:ANP501 4.7 84.7 1.0
H3' B:ANP501 4.7 0.5 1.0
CA B:ASP164 4.7 67.9 1.0
CE B:LYS56 4.7 0.7 1.0
N3B B:ANP501 4.8 0.0 1.0
O1A B:ANP501 4.8 84.2 1.0
N7 B:ANP501 4.8 66.3 1.0
N B:ASP164 4.8 85.4 1.0
O1B B:ANP501 4.9 73.2 1.0

Magnesium binding site 3 out of 4 in 4lgd

Go back to Magnesium Binding Sites List in 4lgd
Magnesium binding site 3 out of 4 in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:0.4
occ:1.00
 OD1 C:ASP164 2.1 0.1 1.0
OD2 C:ASP164 2.1 0.5 1.0
O2B C:ANP501 2.1 0.8 1.0
O1A C:ANP501 2.2 0.3 1.0
HOB2 C:ANP501 2.3 0.6 1.0
CG C:ASP164 2.3 0.1 1.0
PB C:ANP501 3.4 0.7 1.0
PA C:ANP501 3.5 0.2 1.0
CB C:ASP164 3.7 0.9 1.0
HZ2 C:LYS56 3.7 1.0 1.0
O3A C:ANP501 3.8 0.5 1.0
HB3 C:ASP164 3.9 0.5 1.0
N3B C:ANP501 4.0 0.0 1.0
HZ1 C:LYS56 4.0 1.0 1.0
HB2 C:ASP164 4.2 0.5 1.0
O5' C:ANP501 4.3 0.6 1.0
NZ C:LYS56 4.3 0.5 1.0
O3G C:ANP501 4.5 0.4 1.0
O1B C:ANP501 4.6 0.3 1.0
HA C:ASP164 4.6 0.7 1.0
O2A C:ANP501 4.6 0.3 1.0
HNB1 C:ANP501 4.6 0.5 1.0
H8 C:ANP501 4.7 0.2 1.0
CA C:ASP164 4.7 99.7 1.0
HZ3 C:LYS56 4.8 1.0 1.0
PG C:ANP501 4.9 0.5 1.0
H C:ASP164 5.0 1.0 1.0

Magnesium binding site 4 out of 4 in 4lgd

Go back to Magnesium Binding Sites List in 4lgd
Magnesium binding site 4 out of 4 in the Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:87.7
occ:1.00
 OD1 D:ASP164 2.1 0.7 1.0
O1A D:ANP501 2.1 0.2 1.0
OD2 D:ASP164 2.2 98.1 1.0
O2B D:ANP501 2.2 0.6 1.0
CG D:ASP164 2.4 90.0 1.0
HOB2 D:ANP501 2.5 0.9 1.0
HZ2 D:LYS56 3.2 0.6 1.0
HNB1 D:ANP501 3.3 0.4 1.0
PB D:ANP501 3.4 69.9 1.0
PA D:ANP501 3.5 86.0 1.0
HZ1 D:LYS56 3.7 0.6 1.0
O3A D:ANP501 3.9 0.8 1.0
N3B D:ANP501 3.9 0.7 1.0
NZ D:LYS56 3.9 94.7 1.0
CB D:ASP164 4.0 56.3 1.0
H8 D:ANP501 4.0 0.1 1.0
O5' D:ANP501 4.2 73.6 1.0
HE3 D:LYS56 4.3 0.3 1.0
HB3 D:ASP164 4.3 67.6 1.0
HB2 D:ASP164 4.3 67.6 1.0
HZ3 D:LYS56 4.5 0.6 1.0
O2A D:ANP501 4.6 75.3 1.0
O1B D:ANP501 4.6 86.5 1.0
HA D:ASP164 4.7 72.0 1.0
CE D:LYS56 4.7 95.2 1.0
C8 D:ANP501 4.7 88.4 1.0
H D:ASP164 4.8 96.2 1.0
CA D:ASP164 4.8 60.0 1.0
HD2 D:LYS56 4.9 0.3 1.0

Reference:

L.Ni, S.Li, J.Yu, J.Min, C.A.Brautigam, D.R.Tomchick, D.Pan, X.Luo. Structural Basis For Autoactivation of Human MST2 Kinase and Its Regulation By RASSF5. Structure V. 21 1757 2013.
ISSN: ISSN 0969-2126
PubMed: 23972470
DOI: 10.1016/J.STR.2013.07.008
Page generated: Mon Dec 14 19:09:22 2020

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