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Magnesium in PDB 4cyi: Chaetomium Thermophilum PAN3

Protein crystallography data

The structure of Chaetomium Thermophilum PAN3, PDB code: 4cyi was solved by J.Wolf, E.Valkov, M.D.Allen, B.Meineke, Y.Gordiyenko, S.H.Mclaughlin, T.M.Olsen, C.V.Robinson, M.Bycroft, M.Stewart, L.A.Passmore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.212 / 2.42
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 51.520, 146.040, 149.930, 89.81, 81.13, 82.77
R / Rfree (%) 19.03 / 23.43

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Chaetomium Thermophilum PAN3 (pdb code 4cyi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Chaetomium Thermophilum PAN3, PDB code: 4cyi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 4cyi

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Magnesium binding site 1 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1000

b:41.0
occ:1.00
OD2 A:ASP257 1.9 67.6 1.0
O3A A:ATP900 2.3 76.9 1.0
O A:HOH2030 2.3 70.7 1.0
O3B A:ATP900 2.8 0.1 1.0
O3G A:ATP900 2.9 64.5 1.0
O A:SER271 2.9 34.9 1.0
O1A A:ATP900 3.0 55.4 1.0
PB A:ATP900 3.2 38.9 1.0
CG A:ASP257 3.2 53.0 1.0
PA A:ATP900 3.3 40.8 1.0
PG A:ATP900 3.4 47.7 1.0
HG A:SER271 3.5 82.7 1.0
H5'1 A:ATP900 3.7 26.8 1.0
O2B A:ATP900 3.8 59.8 1.0
HB3 A:ASP257 3.9 66.9 1.0
H5'2 A:ATP900 3.9 26.8 1.0
O1G A:ATP900 4.0 73.6 1.0
OD1 A:ASP257 4.0 55.3 1.0
HA A:TRP272 4.0 45.2 1.0
C5' A:ATP900 4.1 22.3 1.0
CB A:ASP257 4.1 55.8 1.0
C A:SER271 4.1 50.0 1.0
O5' A:ATP900 4.2 45.8 1.0
OG A:SER271 4.2 69.0 1.0
O A:HOH2032 4.4 49.0 1.0
O1B A:ATP900 4.4 69.2 1.0
HA A:ASP257 4.5 70.1 1.0
O2A A:ATP900 4.5 49.6 1.0
HG21 A:VAL273 4.6 49.5 1.0
O2G A:ATP900 4.7 62.7 1.0
H A:SER271 4.8 53.2 1.0
HE3 A:TRP272 4.8 58.6 1.0
CA A:TRP272 4.8 37.7 1.0
HB2 A:ASP257 4.9 66.9 1.0
CA A:ASP257 4.9 58.4 1.0
N A:TRP272 4.9 49.5 1.0
H A:VAL273 5.0 47.2 1.0

Magnesium binding site 2 out of 8 in 4cyi

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Magnesium binding site 2 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1000

b:38.5
occ:1.00
O2B B:ATP900 2.1 35.5 1.0
OD1 B:ASP257 2.2 50.2 1.0
O3G B:ATP900 2.2 64.5 1.0
O1A B:ATP900 2.2 49.8 1.0
O B:SER271 3.0 81.5 1.0
CG B:ASP257 3.3 71.3 1.0
PB B:ATP900 3.3 47.1 1.0
PG B:ATP900 3.4 65.1 1.0
HG B:SER271 3.5 96.1 1.0
PA B:ATP900 3.5 43.0 1.0
HH21 B:ARG288 3.6 79.5 1.0
HH22 B:ARG288 3.7 79.5 1.0
O3B B:ATP900 3.8 55.0 1.0
O3A B:ATP900 3.9 48.6 1.0
HA B:TRP272 3.9 60.8 1.0
H5'2 B:ATP900 3.9 48.3 1.0
O2G B:ATP900 4.0 76.8 1.0
NH2 B:ARG288 4.0 66.3 1.0
OD2 B:ASP257 4.1 62.6 1.0
H5'1 B:ATP900 4.1 48.3 1.0
HB3 B:ASP257 4.1 61.5 1.0
C B:SER271 4.2 79.7 1.0
HG21 B:VAL273 4.2 65.0 1.0
OG B:SER271 4.3 80.1 1.0
CB B:ASP257 4.3 51.3 1.0
C5' B:ATP900 4.4 40.2 1.0
O B:SER259 4.4 0.0 1.0
O5' B:ATP900 4.5 50.5 1.0
O2A B:ATP900 4.6 52.1 1.0
HA B:ASP257 4.6 79.1 1.0
O1G B:ATP900 4.7 60.0 1.0
O1B B:ATP900 4.7 37.3 1.0
CA B:TRP272 4.8 50.6 1.0
H B:VAL273 4.8 77.9 1.0
N B:TRP272 4.9 66.8 1.0
H B:SER271 5.0 79.7 1.0
HZ2 B:LYS398 5.0 46.7 1.0
HD1 B:TRP272 5.0 98.4 1.0

Magnesium binding site 3 out of 8 in 4cyi

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Magnesium binding site 3 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1000

b:56.9
occ:1.00
OD2 C:ASP257 2.0 91.0 1.0
O3B C:ATP900 2.4 0.9 1.0
O C:SER271 2.5 60.7 1.0
O1A C:ATP900 2.9 71.2 1.0
O2G C:ATP900 3.2 96.6 1.0
HG C:SER271 3.2 93.4 1.0
CG C:ASP257 3.3 78.1 1.0
O3A C:ATP900 3.3 68.1 1.0
PG C:ATP900 3.3 65.9 1.0
PB C:ATP900 3.5 56.4 1.0
O3G C:ATP900 3.6 51.2 1.0
HA C:TRP272 3.7 69.3 1.0
PA C:ATP900 3.7 54.6 1.0
C C:SER271 3.7 70.8 1.0
OG C:SER271 3.9 77.8 1.0
HB3 C:ASP257 4.0 90.1 1.0
OD1 C:ASP257 4.0 75.8 1.0
O C:HOH2029 4.1 55.8 1.0
O C:HOH2028 4.1 67.6 1.0
H5'1 C:ATP900 4.2 50.7 1.0
CB C:ASP257 4.3 75.1 1.0
H5'2 C:ATP900 4.4 50.7 1.0
H C:SER271 4.4 79.5 1.0
O2B C:ATP900 4.5 43.4 1.0
O1B C:ATP900 4.5 0.4 1.0
HG21 C:VAL273 4.5 65.9 1.0
CA C:TRP272 4.5 57.8 1.0
HE3 C:TRP272 4.6 73.1 1.0
N C:TRP272 4.6 59.7 1.0
O1G C:ATP900 4.6 53.4 1.0
C5' C:ATP900 4.7 42.3 1.0
O5' C:ATP900 4.7 55.2 1.0
CE3 C:TRP272 4.7 61.0 1.0
CA C:SER271 4.7 63.2 1.0
HA C:ASP257 4.8 92.8 1.0
O2A C:ATP900 4.9 51.3 1.0
H C:VAL273 4.9 71.3 1.0
CB C:SER271 4.9 77.2 1.0
N C:SER271 5.0 66.2 1.0
HB2 C:ASP257 5.0 90.1 1.0

Magnesium binding site 4 out of 8 in 4cyi

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Magnesium binding site 4 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1000

b:29.8
occ:1.00
OD1 D:ASP257 2.0 42.9 1.0
O D:HOH2021 2.1 38.0 1.0
O3G D:ATP900 2.1 39.4 1.0
O2B D:ATP900 2.2 19.5 1.0
O1A D:ATP900 2.2 28.6 1.0
O D:SER271 2.9 41.0 1.0
CG D:ASP257 3.1 46.9 1.0
HG D:SER271 3.2 62.5 1.0
PB D:ATP900 3.5 33.5 1.0
PG D:ATP900 3.5 39.9 1.0
HH21 D:ARG288 3.5 54.8 1.0
PA D:ATP900 3.6 39.6 1.0
OD2 D:ASP257 3.6 46.3 1.0
HH22 D:ARG288 3.6 54.8 1.0
HA D:TRP272 3.8 43.4 1.0
O3B D:ATP900 3.9 44.2 1.0
NH2 D:ARG288 3.9 45.6 1.0
OG D:SER271 3.9 52.1 1.0
H5'1 D:ATP900 4.0 43.2 1.0
O3A D:ATP900 4.0 30.4 1.0
C D:SER271 4.0 47.9 1.0
HG21 D:VAL273 4.1 49.3 1.0
HB3 D:ASP257 4.1 46.4 1.0
H5'2 D:ATP900 4.2 43.2 1.0
CB D:ASP257 4.2 38.7 1.0
O2G D:ATP900 4.3 42.6 1.0
C5' D:ATP900 4.5 36.0 1.0
O5' D:ATP900 4.5 41.9 1.0
O1G D:ATP900 4.6 42.2 1.0
H D:VAL273 4.7 51.8 1.0
CA D:TRP272 4.7 36.2 1.0
O2A D:ATP900 4.7 35.8 1.0
HA D:ASP257 4.7 47.4 1.0
O1B D:ATP900 4.8 27.0 1.0
N D:TRP272 4.8 40.2 1.0
H D:SER271 4.8 58.9 1.0
O D:SER259 4.9 97.0 1.0
HB2 D:ASP257 4.9 46.4 1.0
CB D:SER271 5.0 32.5 1.0
CG2 D:VAL273 5.0 41.1 1.0

Magnesium binding site 5 out of 8 in 4cyi

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Magnesium binding site 5 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg1000

b:54.4
occ:1.00
OD1 E:ASP257 1.9 79.1 1.0
O3A E:ATP900 2.4 43.1 1.0
O E:SER271 2.5 74.3 1.0
O E:HOH2020 2.8 58.4 1.0
O3G E:ATP900 3.0 60.5 1.0
HG E:SER271 3.1 98.1 1.0
CG E:ASP257 3.1 77.3 1.0
O1A E:ATP900 3.3 68.4 1.0
PB E:ATP900 3.3 60.3 1.0
O2B E:ATP900 3.4 79.5 1.0
PA E:ATP900 3.5 68.8 1.0
O3B E:ATP900 3.5 0.5 1.0
H5'2 E:ATP900 3.6 76.6 1.0
HA E:TRP272 3.6 84.5 1.0
C E:SER271 3.7 75.2 1.0
OD2 E:ASP257 3.8 84.1 1.0
OG E:SER271 3.8 81.8 1.0
PG E:ATP900 3.9 76.5 1.0
HB3 E:ASP257 4.1 94.6 1.0
O5' E:ATP900 4.2 72.0 1.0
H5'1 E:ATP900 4.2 76.6 1.0
C5' E:ATP900 4.2 63.8 1.0
CB E:ASP257 4.2 78.8 1.0
HG21 E:VAL273 4.2 86.0 1.0
CA E:TRP272 4.4 70.4 1.0
HA E:ASP257 4.5 0.1 1.0
N E:TRP272 4.5 74.1 1.0
HE3 E:TRP272 4.6 0.6 1.0
H E:SER271 4.6 0.3 1.0
H E:VAL273 4.6 81.9 1.0
O2A E:ATP900 4.7 75.7 1.0
O1B E:ATP900 4.7 61.1 1.0
O1G E:ATP900 4.8 0.6 1.0
CA E:SER271 4.8 80.5 1.0
CB E:SER271 4.8 80.2 1.0
CE3 E:TRP272 4.8 85.5 1.0
HB2 E:ASP257 4.9 94.6 1.0
CA E:ASP257 5.0 94.3 1.0

Magnesium binding site 6 out of 8 in 4cyi

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Magnesium binding site 6 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1000

b:52.5
occ:1.00
O1A F:ATP900 2.1 38.8 1.0
OD1 F:ASP257 2.2 52.5 1.0
O3G F:ATP900 2.3 57.5 1.0
O2B F:ATP900 2.5 34.5 1.0
O F:SER271 3.0 64.2 1.0
CG F:ASP257 3.1 48.4 1.0
HH21 F:ARG288 3.1 78.9 1.0
HH22 F:ARG288 3.3 78.9 1.0
OD2 F:ASP257 3.5 52.8 1.0
NH2 F:ARG288 3.5 65.7 1.0
PA F:ATP900 3.6 41.6 1.0
PB F:ATP900 3.6 52.8 1.0
PG F:ATP900 3.7 59.6 1.0
HA F:TRP272 3.8 59.7 1.0
H5'1 F:ATP900 3.9 59.5 1.0
OG F:SER271 4.0 82.3 1.0
HG21 F:VAL273 4.0 52.5 1.0
O3B F:ATP900 4.0 62.1 1.0
C F:SER271 4.1 55.5 1.0
O3A F:ATP900 4.1 42.1 1.0
H5'2 F:ATP900 4.1 59.5 1.0
HB3 F:ASP257 4.3 68.1 1.0
HG F:SER271 4.3 98.8 1.0
CB F:ASP257 4.4 56.8 1.0
C5' F:ATP900 4.4 49.6 1.0
O5' F:ATP900 4.5 61.0 1.0
O2G F:ATP900 4.5 58.7 1.0
H F:VAL273 4.6 50.5 1.0
O2A F:ATP900 4.6 40.0 1.0
CA F:TRP272 4.6 49.8 1.0
O1G F:ATP900 4.7 67.4 1.0
N F:TRP272 4.8 48.1 1.0
CZ F:ARG288 4.8 53.2 1.0
HA F:ASP257 4.9 66.5 1.0
CG2 F:VAL273 4.9 43.7 1.0
H F:SER271 5.0 63.8 1.0
HB2 F:ASP257 5.0 68.1 1.0

Magnesium binding site 7 out of 8 in 4cyi

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Magnesium binding site 7 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg1000

b:52.9
occ:1.00
OD2 G:ASP257 2.0 77.3 1.0
O3A G:ATP900 2.3 63.2 1.0
O G:SER271 2.5 70.8 1.0
O G:HOH2023 2.6 79.3 1.0
O G:HOH2022 2.8 55.9 1.0
O2B G:ATP900 2.9 73.1 1.0
HG G:SER271 2.9 0.6 1.0
PB G:ATP900 3.0 62.0 1.0
O3B G:ATP900 3.0 1.0 1.0
O3G G:ATP900 3.2 62.4 1.0
CG G:ASP257 3.2 75.4 1.0
PA G:ATP900 3.6 54.9 1.0
O1A G:ATP900 3.6 62.8 1.0
OG G:SER271 3.7 98.0 1.0
HA G:TRP272 3.7 81.9 1.0
C G:SER271 3.7 84.9 1.0
H5'2 G:ATP900 3.7 66.8 1.0
PG G:ATP900 3.8 67.4 1.0
OD1 G:ASP257 4.0 72.1 1.0
HB3 G:ASP257 4.0 84.1 1.0
HG21 G:VAL273 4.2 72.7 1.0
O5' G:ATP900 4.2 53.8 1.0
H5'1 G:ATP900 4.2 66.8 1.0
CB G:ASP257 4.3 70.0 1.0
C5' G:ATP900 4.3 55.6 1.0
O1B G:ATP900 4.4 38.8 1.0
CA G:TRP272 4.5 68.3 1.0
N G:TRP272 4.5 83.5 1.0
H G:SER271 4.5 98.6 1.0
HE3 G:TRP272 4.6 92.9 1.0
HA G:ASP257 4.6 98.2 1.0
CB G:SER271 4.7 87.0 1.0
CA G:SER271 4.7 83.0 1.0
H G:VAL273 4.7 79.9 1.0
O2A G:ATP900 4.7 67.8 1.0
O1G G:ATP900 4.8 94.2 1.0
O2G G:ATP900 4.8 77.9 1.0
CE3 G:TRP272 4.9 77.4 1.0
HB2 G:SER271 4.9 0.4 1.0
HB2 G:ASP257 5.0 84.1 1.0

Magnesium binding site 8 out of 8 in 4cyi

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Magnesium binding site 8 out of 8 in the Chaetomium Thermophilum PAN3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Chaetomium Thermophilum PAN3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg1000

b:42.1
occ:1.00
OD1 H:ASP257 2.1 49.2 1.0
O1A H:ATP900 2.2 41.9 1.0
O3G H:ATP900 2.2 52.5 1.0
O2B H:ATP900 2.5 43.9 1.0
O H:SER271 3.0 63.3 1.0
CG H:ASP257 3.1 37.8 1.0
HH22 H:ARG288 3.4 66.4 1.0
HH21 H:ARG288 3.4 66.4 1.0
OD2 H:ASP257 3.6 78.7 1.0
PG H:ATP900 3.6 46.1 1.0
PA H:ATP900 3.6 39.4 1.0
NH2 H:ARG288 3.6 55.3 1.0
PB H:ATP900 3.7 45.2 1.0
HA H:TRP272 3.8 64.2 1.0
HG21 H:VAL273 4.0 33.5 1.0
H5'2 H:ATP900 4.0 50.8 1.0
O3B H:ATP900 4.1 41.5 1.0
O3A H:ATP900 4.1 42.4 1.0
H5'1 H:ATP900 4.1 50.8 1.0
C H:SER271 4.1 55.6 1.0
OG H:SER271 4.1 61.9 1.0
HB3 H:ASP257 4.2 54.0 1.0
CB H:ASP257 4.3 45.0 1.0
O2G H:ATP900 4.3 60.8 1.0
C5' H:ATP900 4.4 42.3 1.0
HG H:SER271 4.5 74.3 1.0
O5' H:ATP900 4.5 40.5 1.0
H H:VAL273 4.6 54.7 1.0
O2A H:ATP900 4.6 37.2 1.0
CA H:TRP272 4.7 53.5 1.0
O1G H:ATP900 4.7 51.3 1.0
HA H:ASP257 4.8 55.7 1.0
CZ H:ARG288 4.8 48.8 1.0
O H:SER259 4.8 0.3 1.0
N H:TRP272 4.9 45.9 1.0
CG2 H:VAL273 4.9 27.9 1.0
HA H:ASN260 4.9 0.2 1.0
HB2 H:ASP257 4.9 54.0 1.0
HG22 H:VAL273 5.0 33.5 1.0
H H:SER271 5.0 48.3 1.0
O1B H:ATP900 5.0 29.8 1.0

Reference:

J.Wolf, E.Valkov, M.D.Allen, B.Meineke, Y.Gordiyenko, S.H.Mclaughlin, T.M.Olsen, C.V.Robinson, M.Bycroft, M.Stewart, L.A.Passmore. Structural Basis For PAN3 Binding to PAN2 and Its Function in Mrna Recruitment and Deadenylation Embo J. V. 33 1514 2014.
ISSN: ISSN 0261-4189
PubMed: 24872509
DOI: 10.15252/EMBJ.201488373
Page generated: Mon Dec 14 11:42:10 2020

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