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Zinc in PDB 5brm: Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling

Enzymatic activity of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling

All present enzymatic activity of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling:
2.7.11.1;

Protein crystallography data

The structure of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling, PDB code: 5brm was solved by X.Luo, L.Ni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.30 / 2.65
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.188, 142.188, 135.981, 90.00, 90.00, 120.00
R / Rfree (%) 24.4 / 26.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling (pdb code 5brm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling, PDB code: 5brm:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 5brm

Go back to Zinc Binding Sites List in 5brm
Zinc binding site 1 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:14.0
occ:1.00
NE2 A:HIS161 1.9 15.2 1.0
NE2 A:HIS166 2.0 13.8 1.0
SG A:CYS84 2.3 16.8 1.0
SG A:CYS79 2.4 15.5 1.0
CE1 A:HIS161 2.7 14.8 1.0
HE1 A:HIS161 2.8 17.7 1.0
CE1 A:HIS166 2.9 13.9 1.0
CD2 A:HIS161 3.0 14.3 1.0
HE1 A:HIS166 3.1 16.7 1.0
CD2 A:HIS166 3.1 13.7 1.0
HA A:CYS79 3.3 19.1 1.0
HD2 A:HIS166 3.3 16.4 1.0
HD2 A:HIS161 3.3 17.1 1.0
CB A:CYS84 3.3 17.5 1.0
HB2 A:CYS79 3.3 18.4 1.0
HB2 A:CYS84 3.4 21.0 1.0
CB A:CYS79 3.4 15.3 1.0
HB3 A:CYS84 3.4 21.0 1.0
HB3 A:ALA111 3.5 16.8 1.0
HB2 A:GLN165 3.8 37.0 1.0
HB1 A:ALA111 3.8 16.8 1.0
HB3 A:GLN165 3.8 37.0 1.0
CA A:CYS79 3.9 16.0 1.0
ND1 A:HIS161 3.9 14.4 1.0
HG A:SER83 4.0 37.2 1.0
CG A:HIS161 4.0 14.3 1.0
CB A:ALA111 4.1 14.0 1.0
ND1 A:HIS166 4.1 13.8 1.0
HG3 A:GLN165 4.2 40.8 1.0
CG A:HIS166 4.2 13.7 1.0
HH A:TYR72 4.2 17.8 1.0
CB A:GLN165 4.2 30.8 1.0
HB3 A:CYS79 4.3 18.4 1.0
HB2 A:ALA111 4.3 16.8 1.0
HD3 A:PRO112 4.3 24.4 1.0
HE1 A:TYR72 4.5 16.8 1.0
HD1 A:HIS161 4.6 17.3 1.0
OG A:SER83 4.7 31.0 1.0
H A:THR80 4.7 21.5 1.0
C A:CYS79 4.7 16.6 1.0
CA A:CYS84 4.7 18.6 1.0
CG A:GLN165 4.8 34.0 1.0
HD1 A:HIS166 4.8 16.6 1.0
HD13 A:ILE75 4.9 21.2 1.0
N A:THR80 5.0 17.9 1.0
OH A:TYR72 5.0 14.9 1.0

Zinc binding site 2 out of 6 in 5brm

Go back to Zinc Binding Sites List in 5brm
Zinc binding site 2 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:14.8
occ:1.00
NE2 B:HIS166 1.9 15.3 1.0
NE2 B:HIS161 2.0 23.9 1.0
SG B:CYS84 2.3 24.0 1.0
SG B:CYS79 2.3 20.4 1.0
CE1 B:HIS161 2.7 25.8 1.0
CE1 B:HIS166 2.8 15.4 1.0
HE1 B:HIS161 2.8 31.0 1.0
HE1 B:HIS166 2.9 18.5 1.0
CD2 B:HIS166 3.1 15.2 1.0
CD2 B:HIS161 3.1 24.0 1.0
HB2 B:CYS79 3.3 24.1 1.0
HA B:CYS79 3.3 25.3 1.0
CB B:CYS79 3.3 20.1 1.0
HD2 B:HIS166 3.4 18.2 1.0
CB B:CYS84 3.4 24.5 1.0
HB3 B:CYS84 3.4 29.4 1.0
HB2 B:CYS84 3.4 29.4 1.0
HB3 B:ALA111 3.4 30.8 1.0
HD2 B:HIS161 3.5 28.8 1.0
HB1 B:ALA111 3.7 30.8 1.0
CA B:CYS79 3.9 21.1 1.0
ND1 B:HIS161 3.9 22.8 1.0
HB2 B:GLN165 3.9 44.7 1.0
ND1 B:HIS166 4.0 15.3 1.0
CB B:ALA111 4.0 25.7 1.0
HB3 B:GLN165 4.0 44.7 1.0
CG B:HIS166 4.1 15.2 1.0
HG B:SER83 4.1 38.5 1.0
CG B:HIS161 4.1 23.0 1.0
HB3 B:CYS79 4.2 24.1 1.0
HH B:TYR72 4.2 30.5 1.0
HD3 B:PRO112 4.2 31.6 1.0
HB2 B:ALA111 4.3 30.8 1.0
HG3 B:GLN165 4.4 47.3 1.0
CB B:GLN165 4.4 37.3 1.0
HE1 B:TYR72 4.5 28.7 1.0
HD1 B:HIS161 4.6 27.3 1.0
C B:CYS79 4.7 24.2 1.0
HD1 B:HIS166 4.7 18.4 1.0
H B:THR80 4.7 29.3 1.0
CA B:CYS84 4.8 26.0 1.0
OG B:SER83 4.8 32.1 1.0
HG3 B:PRO112 4.9 31.9 1.0
CG B:GLN165 5.0 39.4 1.0

Zinc binding site 3 out of 6 in 5brm

Go back to Zinc Binding Sites List in 5brm
Zinc binding site 3 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn301

b:49.7
occ:1.00
NE2 C:HIS166 1.9 41.6 1.0
NE2 C:HIS161 2.1 48.1 1.0
SG C:CYS84 2.2 57.7 1.0
SG C:CYS79 2.4 57.4 1.0
HB2 C:CYS79 2.8 62.8 1.0
CE1 C:HIS166 2.9 43.4 1.0
CD2 C:HIS166 2.9 39.7 1.0
HA C:CYS79 3.0 63.6 1.0
CE1 C:HIS161 3.0 51.7 1.0
CB C:CYS79 3.0 52.3 1.0
HE1 C:HIS166 3.1 52.0 1.0
HE1 C:HIS161 3.1 62.0 1.0
HD2 C:HIS166 3.1 47.7 1.0
CD2 C:HIS161 3.2 47.0 1.0
HB2 C:CYS84 3.3 69.8 1.0
CB C:CYS84 3.3 58.2 1.0
HB3 C:CYS84 3.4 69.8 1.0
HD2 C:HIS161 3.4 56.4 1.0
CA C:CYS79 3.5 53.0 1.0
HB3 C:ALA111 3.7 78.9 1.0
HB3 C:CYS79 3.9 62.8 1.0
ND1 C:HIS166 4.0 42.7 1.0
CG C:HIS166 4.0 40.4 1.0
HB1 C:ALA111 4.1 78.9 1.0
ND1 C:HIS161 4.1 47.8 1.0
HB2 C:GLN165 4.2 84.5 1.0
CG C:HIS161 4.3 42.5 1.0
CB C:ALA111 4.3 65.7 1.0
HE1 C:TYR72 4.3 68.5 1.0
HH C:TYR72 4.3 73.5 1.0
HD3 C:PRO112 4.4 73.6 1.0
HB3 C:GLN165 4.4 84.5 1.0
C C:CYS79 4.5 54.9 1.0
N C:CYS79 4.5 53.0 1.0
H C:THR80 4.6 60.6 1.0
HB2 C:ALA111 4.6 78.9 1.0
HG C:SER83 4.7 76.1 1.0
O C:PHE78 4.7 49.8 1.0
CA C:CYS84 4.7 60.1 1.0
CB C:GLN165 4.7 70.4 1.0
HG3 C:GLN165 4.7 83.8 1.0
HD1 C:HIS166 4.8 51.3 1.0
OG C:SER83 4.8 63.4 1.0
N C:THR80 4.8 50.5 1.0
HD1 C:HIS161 4.9 57.4 1.0
HG3 C:PRO112 4.9 73.8 1.0
HA C:CYS84 5.0 72.1 1.0
C C:PHE78 5.0 49.5 1.0

Zinc binding site 4 out of 6 in 5brm

Go back to Zinc Binding Sites List in 5brm
Zinc binding site 4 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn301

b:39.6
occ:1.00
NE2 D:HIS161 2.0 72.1 1.0
NE2 D:HIS166 2.0 54.2 1.0
SG D:CYS79 2.2 54.9 1.0
SG D:CYS84 2.2 71.1 1.0
HB2 D:CYS84 2.8 95.9 1.0
CE1 D:HIS161 2.8 75.3 1.0
HE1 D:HIS161 2.9 90.3 1.0
CE1 D:HIS166 3.0 54.4 1.0
CB D:CYS84 3.0 79.9 1.0
HE1 D:HIS166 3.1 65.2 1.0
CD2 D:HIS166 3.1 53.0 1.0
CD2 D:HIS161 3.2 69.1 1.0
HB2 D:CYS79 3.2 63.6 1.0
HB3 D:CYS84 3.2 95.9 1.0
CB D:CYS79 3.2 53.0 1.0
HA D:CYS79 3.3 62.7 1.0
HD2 D:HIS166 3.3 63.6 1.0
HD2 D:HIS161 3.5 82.9 1.0
HB3 D:ALA111 3.6 65.8 1.0
HG D:SER83 3.7 74.4 1.0
CA D:CYS79 3.8 52.2 1.0
HB1 D:ALA111 3.8 65.8 1.0
ND1 D:HIS161 4.0 72.0 1.0
HB3 D:CYS79 4.1 63.6 1.0
ND1 D:HIS166 4.1 53.1 1.0
CB D:ALA111 4.1 54.9 1.0
HB2 D:GLN165 4.2 85.5 1.0
HH D:TYR72 4.2 55.0 1.0
CG D:HIS166 4.2 52.3 1.0
CG D:HIS161 4.2 69.2 1.0
HD3 D:PRO112 4.2 66.4 1.0
HE1 D:TYR72 4.2 58.6 1.0
HB3 D:GLN165 4.3 85.5 1.0
CA D:CYS84 4.4 73.8 1.0
OG D:SER83 4.4 62.0 1.0
HB2 D:ALA111 4.5 65.8 1.0
C D:CYS79 4.6 52.9 1.0
HG3 D:GLN165 4.6 88.8 1.0
CB D:GLN165 4.7 71.2 1.0
H D:THR80 4.7 64.1 1.0
N D:CYS84 4.7 72.1 1.0
HD1 D:HIS161 4.8 86.4 1.0
HG3 D:PRO112 4.8 66.6 1.0
HA D:CYS84 4.8 88.5 1.0
H D:CYS84 4.9 86.6 1.0
HD1 D:HIS166 4.9 63.8 1.0
N D:THR80 5.0 53.4 1.0
N D:CYS79 5.0 51.4 1.0

Zinc binding site 5 out of 6 in 5brm

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Zinc binding site 5 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn301

b:41.1
occ:1.00
NE2 E:HIS166 1.9 41.4 1.0
NE2 E:HIS161 2.0 52.7 1.0
SG E:CYS79 2.3 37.5 1.0
SG E:CYS84 2.3 54.7 1.0
CE1 E:HIS166 2.8 41.5 1.0
CE1 E:HIS161 2.8 55.6 1.0
HE1 E:HIS166 2.9 49.8 1.0
HE1 E:HIS161 2.9 66.7 1.0
CD2 E:HIS166 3.1 41.2 1.0
CD2 E:HIS161 3.1 51.2 1.0
HB2 E:CYS84 3.2 77.3 1.0
CB E:CYS84 3.2 64.4 1.0
HB2 E:CYS79 3.2 45.1 1.0
HB3 E:CYS84 3.3 77.3 1.0
CB E:CYS79 3.3 37.6 1.0
HD2 E:HIS166 3.3 49.4 1.0
HA E:CYS79 3.4 46.9 1.0
HB3 E:ALA111 3.4 55.6 1.0
HD2 E:HIS161 3.4 61.5 1.0
HB1 E:ALA111 3.7 55.6 1.0
CA E:CYS79 3.9 39.0 1.0
HB2 E:GLN165 3.9 76.0 1.0
CB E:ALA111 3.9 46.3 1.0
ND1 E:HIS166 3.9 41.4 1.0
ND1 E:HIS161 4.0 56.2 1.0
CG E:HIS166 4.1 41.2 1.0
HB2 E:ALA111 4.1 55.6 1.0
HB3 E:CYS79 4.1 45.1 1.0
HG E:SER83 4.1 78.3 1.0
HB3 E:GLN165 4.1 76.0 1.0
CG E:HIS161 4.2 52.4 1.0
HE1 E:TYR72 4.3 48.4 1.0
HD3 E:PRO112 4.4 51.8 1.0
HG3 E:GLN165 4.4 81.5 1.0
CB E:GLN165 4.5 63.3 1.0
HH E:TYR72 4.5 53.2 1.0
CA E:CYS84 4.6 64.0 1.0
HD1 E:HIS166 4.7 49.7 1.0
C E:CYS79 4.7 39.9 1.0
HD1 E:HIS161 4.7 67.4 1.0
OG E:SER83 4.8 65.2 1.0
H E:THR80 4.8 62.8 1.0
HA E:CYS84 4.9 76.8 1.0

Zinc binding site 6 out of 6 in 5brm

Go back to Zinc Binding Sites List in 5brm
Zinc binding site 6 out of 6 in the Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn301

b:77.1
occ:1.00
NE2 F:HIS166 1.9 63.1 1.0
NE2 F:HIS161 2.1 65.2 1.0
SG F:CYS84 2.3 74.9 1.0
SG F:CYS79 2.4 59.4 1.0
CE1 F:HIS166 2.9 63.8 1.0
CD2 F:HIS166 2.9 61.8 1.0
HB2 F:CYS79 3.0 72.2 1.0
HA F:CYS79 3.0 77.7 1.0
CE1 F:HIS161 3.0 68.2 1.0
HE1 F:HIS166 3.1 76.5 1.0
CD2 F:HIS161 3.1 60.8 1.0
CB F:CYS79 3.1 60.2 1.0
HD2 F:HIS166 3.2 74.2 1.0
HE1 F:HIS161 3.2 81.8 1.0
HB2 F:CYS84 3.2 0.2 1.0
CB F:CYS84 3.3 86.0 1.0
HD2 F:HIS161 3.3 73.0 1.0
HB3 F:ALA111 3.5 0.7 1.0
HB3 F:CYS84 3.5 0.2 1.0
CA F:CYS79 3.6 64.8 1.0
ND1 F:HIS166 4.0 61.8 1.0
HB3 F:CYS79 4.0 72.2 1.0
CG F:HIS166 4.0 59.5 1.0
HB1 F:ALA111 4.1 0.7 1.0
CB F:ALA111 4.1 95.6 1.0
ND1 F:HIS161 4.2 67.0 1.0
CG F:HIS161 4.2 60.5 1.0
HD3 F:PRO112 4.3 89.2 1.0
HB2 F:GLN165 4.3 68.3 1.0
HG F:SER83 4.3 79.5 1.0
HB2 F:ALA111 4.3 0.7 1.0
OG F:SER83 4.5 66.2 1.0
C F:CYS79 4.5 69.5 1.0
H F:THR80 4.5 96.7 1.0
HB3 F:GLN165 4.7 68.3 1.0
HE1 F:TYR72 4.7 79.6 1.0
N F:CYS79 4.7 65.9 1.0
HH F:TYR72 4.7 92.6 1.0
CA F:CYS84 4.7 90.7 1.0
HD1 F:HIS166 4.8 74.2 1.0
O F:PHE78 4.8 83.3 1.0
N F:THR80 4.8 80.6 1.0
CB F:GLN165 4.9 57.0 1.0
HD1 F:HIS161 4.9 80.4 1.0
HG3 F:PRO112 5.0 82.5 1.0

Reference:

L.Ni, Y.Zheng, M.Hara, D.Pan, X.Luo. Structural Basis For MOB1-Dependent Activation of the Core Mst-Lats Kinase Cascade in Hippo Signaling. Genes Dev. V. 29 1416 2015.
ISSN: ISSN 0890-9369
PubMed: 26108669
DOI: 10.1101/GAD.264929.115
Page generated: Sun Oct 27 13:33:42 2024

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