Magnesium in PDB 8wmo: Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents

Enzymatic activity of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents

All present enzymatic activity of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents:
6.3.2.25;

Protein crystallography data

The structure of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents, PDB code: 8wmo was solved by W.Zhao, J.Bi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.86 / 2.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 103.82, 156.446, 179.393, 90, 90, 90
R / Rfree (%) 22.4 / 26.6

Other elements in 8wmo:

The structure of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents (pdb code 8wmo). 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 Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents, PDB code: 8wmo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8wmo

Go back to Magnesium Binding Sites List in 8wmo
Magnesium binding site 1 out of 4 in the Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:52.2
occ:1.00
 O1G A:GTP501 2.2 56.3 1.0
O1B A:GTP501 2.4 47.6 1.0
OE1 A:GLU71 3.2 71.1 1.0
PG A:GTP501 3.3 49.3 1.0
PB A:GTP501 3.5 53.6 1.0
O2G A:GTP501 3.6 54.7 1.0
OD2 A:ASP69 3.8 66.0 1.0
O3B A:GTP501 3.9 60.8 1.0
O3A A:GTP501 4.1 48.4 1.0
OD1 A:ASP69 4.1 66.8 1.0
CG A:ASP69 4.4 62.5 1.0
CD A:GLU71 4.4 73.9 1.0
CB A:GLN11 4.5 52.5 1.0
CB A:ASP98 4.5 54.5 1.0
NZ B:LYS252 4.7 68.3 1.0
O3G A:GTP501 4.7 52.0 1.0
N A:GLN11 4.8 49.3 1.0
O2B A:GTP501 4.8 55.1 1.0
OE1 A:GLN11 4.8 51.3 1.0
O1A A:GTP501 4.8 53.9 1.0
CB A:GLU71 4.9 67.5 1.0

Magnesium binding site 2 out of 4 in 8wmo

Go back to Magnesium Binding Sites List in 8wmo
Magnesium binding site 2 out of 4 in the Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:59.0
occ:1.00
 O1A B:GDP501 2.3 55.9 1.0
NE2 B:GLN11 2.4 61.1 1.0
CD B:GLN11 3.4 63.5 1.0
PA B:GDP501 3.6 51.8 1.0
OE1 B:GLN11 3.9 80.1 1.0
OD2 B:ASP177 3.9 72.3 1.0
O3A B:GDP501 4.0 58.8 1.0
OE2 C:GLU254 4.2 82.4 1.0
CG B:GLN11 4.3 57.2 1.0
C5' B:GDP501 4.3 55.5 1.0
OD1 B:ASN99 4.4 97.8 1.0
O5' B:GDP501 4.4 41.5 1.0
CB B:GLN11 4.4 55.4 1.0
ND2 B:ASN99 4.5 84.1 1.0
O2A B:GDP501 4.7 48.8 1.0
CG B:ASN99 4.8 65.9 1.0
CG B:ASP177 4.9 73.6 1.0
C8 B:GDP501 5.0 54.3 1.0

Magnesium binding site 3 out of 4 in 8wmo

Go back to Magnesium Binding Sites List in 8wmo
Magnesium binding site 3 out of 4 in the Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:55.1
occ:1.00
 O1B C:GTP501 1.9 56.4 1.0
O1G C:GTP501 2.3 55.3 1.0
PB C:GTP501 3.2 67.8 1.0
PG C:GTP501 3.5 57.2 1.0
OE1 C:GLU71 3.6 68.1 1.0
O3A C:GTP501 3.7 49.2 1.0
O3B C:GTP501 3.8 50.4 1.0
CB C:GLN11 3.9 54.3 1.0
O2G C:GTP501 3.9 52.5 1.0
OE1 C:GLN11 4.1 66.5 1.0
NZ D:LYS252 4.2 52.0 1.0
OD2 C:ASP69 4.3 50.5 1.0
N C:GLN11 4.3 47.8 1.0
O1A C:GTP501 4.4 49.8 1.0
O2B C:GTP501 4.4 44.5 1.0
OD1 C:ASP69 4.4 56.3 1.0
PA C:GTP501 4.6 45.0 1.0
CB C:ASP98 4.7 46.6 1.0
CA C:GLN11 4.7 49.4 1.0
O3G C:GTP501 4.8 44.6 1.0
CG C:ASP69 4.8 53.5 1.0
OD2 C:ASP98 4.8 63.7 1.0
CD C:GLU71 4.8 71.3 1.0
CD C:GLN11 5.0 56.2 1.0

Magnesium binding site 4 out of 4 in 8wmo

Go back to Magnesium Binding Sites List in 8wmo
Magnesium binding site 4 out of 4 in the Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure Analysis of Tubulin and Heterocyclic Podophyllotoxins Complex For Anticancer Agents within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:89.0
occ:1.00
 O1A D:GTP501 2.1 94.5 1.0
NE2 D:GLN11 2.4 87.1 1.0
CD D:GLN11 3.4 89.7 1.0
PA D:GTP501 3.6 72.5 1.0
O1G D:GTP501 3.9 96.0 1.0
OE1 D:GLN11 3.9 110.8 1.0
O3A D:GTP501 4.2 80.3 1.0
CG D:GLN11 4.3 88.0 1.0
O2A D:GTP501 4.3 73.2 1.0
OD1 D:ASN99 4.3 130.7 1.0
CB D:GLN11 4.4 86.3 1.0
ND2 D:ASN99 4.4 117.1 1.0
C5' D:GTP501 4.5 82.7 1.0
O5' D:GTP501 4.5 81.0 1.0
O1B D:GTP501 4.5 81.1 1.0
CG D:ASN99 4.8 103.9 1.0

Reference:

W.Zhao, W.Zhao, J.Bi. N/A N/A.
Page generated: Thu Oct 31 22:19:09 2024

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