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Magnesium in PDB 4fma: Espg Structure

Protein crystallography data

The structure of Espg Structure, PDB code: 4fma was solved by F.Shao, Y.Zhu, L.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.615, 167.739, 361.690, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 23.9

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Magnesium atom in the Espg Structure (pdb code 4fma). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 19 binding sites of Magnesium where determined in the Espg Structure, PDB code: 4fma:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 19 in 4fma

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Magnesium binding site 1 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:27.9
occ:1.00
O A:HOH736 2.3 4.9 1.0
O A:GLN286 2.3 21.8 1.0
O A:HOH737 2.8 23.8 1.0
ND2 A:ASN172 3.3 21.0 1.0
C A:GLN286 3.5 22.0 1.0
CG A:ASN172 3.6 20.4 1.0
OD1 A:ASN172 3.8 22.3 1.0
O A:HOH758 3.9 37.8 1.0
CA A:SER287 4.0 24.1 1.0
O1 A:FMT404 4.1 34.1 1.0
O A:HOH603 4.1 29.8 1.0
N A:SER287 4.2 22.6 1.0
C A:SER287 4.4 24.7 1.0
OE2 A:GLU227 4.4 19.0 1.0
CB A:ASN172 4.4 20.0 1.0
N A:GLN286 4.5 20.8 1.0
CA A:GLN286 4.5 21.2 1.0
C A:FMT404 4.5 34.7 1.0
N A:SER288 4.6 25.4 1.0
OG A:SER285 4.8 23.6 1.0
O A:SER287 4.9 24.2 1.0

Magnesium binding site 2 out of 19 in 4fma

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Magnesium binding site 2 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:31.5
occ:1.00
O A:PRO305 2.2 31.1 1.0
O A:ASN310 2.3 32.4 1.0
O A:HOH669 2.3 16.9 1.0
O A:ARG308 2.3 39.1 1.0
O A:HOH577 2.5 15.0 1.0
O A:GLU306 3.0 37.9 1.0
C A:PRO305 3.3 32.1 1.0
C A:ARG308 3.3 39.0 1.0
C A:GLU306 3.3 37.7 1.0
CA A:GLU306 3.5 36.6 1.0
C A:ASN310 3.5 32.5 1.0
N A:ARG308 3.7 39.3 1.0
N A:GLU306 3.8 34.3 1.0
O A:HOH561 3.8 32.1 1.0
CA A:ARG308 3.9 39.3 1.0
O A:ALA304 3.9 28.2 1.0
N A:ASN310 4.1 35.0 1.0
CB A:ARG308 4.2 38.4 1.0
N A:ASP307 4.2 38.6 1.0
C A:PRO309 4.2 37.5 1.0
CG A:GLU311 4.2 35.7 1.0
C A:ALA304 4.3 28.2 1.0
N A:PRO309 4.3 39.0 1.0
CB A:ALA304 4.4 26.7 1.0
N A:GLU311 4.4 31.1 1.0
O A:PRO309 4.4 38.6 1.0
CA A:ASN310 4.4 33.0 1.0
CA A:GLU311 4.5 30.7 1.0
C A:ASP307 4.5 40.0 1.0
CA A:PRO305 4.5 31.0 1.0
OE2 A:GLU306 4.5 44.5 1.0
N A:PRO305 4.6 29.6 1.0
CA A:PRO309 4.7 38.9 1.0
CA A:ASP307 4.9 40.2 1.0
CB A:GLU306 4.9 38.2 1.0
CB A:GLU311 5.0 31.9 1.0
CA A:ALA304 5.0 26.6 1.0

Magnesium binding site 3 out of 19 in 4fma

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Magnesium binding site 3 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:35.3
occ:1.00
O B:ASN310 2.1 36.7 1.0
O B:HOH740 2.3 21.9 1.0
O B:ARG308 2.4 42.1 1.0
O B:PRO305 2.4 33.8 1.0
O B:HOH674 2.4 15.8 1.0
O B:GLU306 3.2 40.9 1.0
C B:ASN310 3.3 36.1 1.0
C B:ARG308 3.4 41.9 1.0
C B:PRO305 3.5 34.8 1.0
C B:GLU306 3.6 40.5 1.0
CA B:GLU306 3.9 39.5 1.0
N B:ARG308 3.9 42.2 1.0
O B:ALA304 3.9 30.7 1.0
CA B:ARG308 4.0 42.1 1.0
N B:GLU306 4.0 36.9 1.0
N B:ASN310 4.1 38.5 1.0
CG B:GLU311 4.1 38.7 1.0
O B:HOH699 4.1 38.5 1.0
C B:PRO309 4.1 40.9 1.0
N B:GLU311 4.2 34.5 1.0
C B:ALA304 4.2 30.5 1.0
CB B:ALA304 4.2 29.2 1.0
CA B:GLU311 4.3 34.0 1.0
CA B:ASN310 4.3 36.7 1.0
O B:PRO309 4.3 42.1 1.0
CB B:ARG308 4.3 41.3 1.0
N B:PRO309 4.4 41.9 1.0
N B:ASP307 4.5 41.8 1.0
N B:PRO305 4.6 32.0 1.0
CA B:PRO305 4.6 33.5 1.0
CA B:PRO309 4.7 42.0 1.0
CB B:GLU311 4.8 35.2 1.0
C B:ASP307 4.8 43.0 1.0
O B:HOH587 4.8 34.4 1.0
CA B:ALA304 4.8 28.8 1.0
O B:HOH681 5.0 30.8 1.0

Magnesium binding site 4 out of 19 in 4fma

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Magnesium binding site 4 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:40.0
occ:1.00
O C:CYS233 2.2 30.2 1.0
O C:HIS204 2.4 32.1 1.0
O C:HOH716 2.5 24.6 1.0
O C:HOH583 2.5 21.5 1.0
O C:HOH699 2.6 23.6 1.0
C C:CYS233 3.3 29.3 1.0
C C:HIS204 3.5 30.6 1.0
CB C:CYS233 3.8 30.9 1.0
O C:HOH700 3.9 25.9 1.0
CA C:CYS233 3.9 29.4 1.0
O C:HOH702 4.4 27.9 1.0
N C:HIS234 4.4 28.7 1.0
CA C:HIS204 4.4 31.4 1.0
N C:GLY205 4.4 29.3 1.0
CA C:GLY205 4.5 28.4 1.0
O C:ILE206 4.6 29.6 1.0
CB C:HIS204 4.7 32.4 1.0
CD C:PRO235 4.8 28.5 1.0
CA C:HIS234 4.8 28.4 1.0
C C:GLY205 4.9 28.8 1.0
SG C:CYS233 5.0 31.2 1.0

Magnesium binding site 5 out of 19 in 4fma

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Magnesium binding site 5 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg402

b:59.7
occ:1.00
O C:ASN310 2.2 51.4 1.0
O C:PRO305 2.5 50.8 1.0
O C:ARG308 2.7 57.5 1.0
O C:GLU306 3.1 58.6 1.0
C C:ASN310 3.3 50.9 1.0
C C:PRO305 3.5 51.1 1.0
C C:GLU306 3.5 58.1 1.0
CA C:GLU306 3.7 56.9 1.0
C C:ARG308 3.8 56.7 1.0
O C:ALA304 3.9 45.1 1.0
CA C:GLU311 3.9 49.5 1.0
CB C:GLU311 3.9 51.6 1.0
N C:GLU311 4.0 50.0 1.0
N C:GLU306 4.0 54.0 1.0
O C:PRO309 4.2 56.4 1.0
N C:ARG308 4.2 57.6 1.0
C C:ALA304 4.3 44.4 1.0
C C:PRO309 4.3 55.1 1.0
N C:ASN310 4.4 52.4 1.0
N C:ASP307 4.4 59.0 1.0
CA C:ASN310 4.4 50.9 1.0
CB C:ALA304 4.4 41.7 1.0
CA C:ARG308 4.5 56.5 1.0
CA C:PRO305 4.7 48.6 1.0
N C:PRO305 4.7 46.0 1.0
CB C:ARG308 4.7 54.6 1.0
N C:PRO309 4.8 56.3 1.0
CG C:GLU311 4.8 53.8 1.0
C C:ASP307 4.9 59.2 1.0
CA C:ALA304 4.9 41.8 1.0
CA C:PRO309 5.0 56.4 1.0
OE1 C:GLU311 5.0 59.9 1.0

Magnesium binding site 6 out of 19 in 4fma

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Magnesium binding site 6 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg401

b:34.9
occ:1.00
O D:HOH680 2.1 19.2 1.0
O B:HOH721 2.3 14.7 1.0
O B:HOH722 2.4 13.7 1.0
O D:SER196 2.4 25.4 1.0
O D:HOH679 2.4 21.4 1.0
O B:HOH685 2.6 18.2 1.0
C D:SER196 3.6 24.3 1.0
O B:THR275 3.8 30.8 1.0
N D:SER196 3.9 24.1 1.0
O D:GLY189 4.4 28.6 1.0
C D:PRO197 4.4 26.2 1.0
CA D:SER196 4.4 23.7 1.0
N D:SER198 4.4 27.6 1.0
OD1 B:ASP274 4.5 39.0 1.0
O B:HOH765 4.5 22.9 1.0
O D:HOH557 4.5 12.1 1.0
OG D:SER196 4.5 25.4 1.0
N D:PRO197 4.6 24.0 1.0
O D:PRO197 4.6 27.0 1.0
O B:HOH620 4.6 26.7 1.0
CA D:PRO197 4.7 24.7 1.0
N B:THR275 4.7 33.4 1.0
O B:HOH694 4.7 30.1 1.0
CA B:ASP274 4.8 36.5 1.0
OD1 B:ASN277 4.8 23.6 1.0
O B:LEU273 4.8 37.5 1.0
O D:HOH562 4.8 23.0 1.0
C B:THR275 4.9 30.1 1.0
CA D:SER198 5.0 29.7 1.0
O D:HOH515 5.0 19.2 1.0
C D:SER195 5.0 23.4 1.0

Magnesium binding site 7 out of 19 in 4fma

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Magnesium binding site 7 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:44.9
occ:1.00
O D:HOH640 2.3 27.3 1.0
O K:THR193 2.4 56.2 1.0
O D:GLN286 2.6 34.2 1.0
OG K:SER195 2.9 49.5 1.0
OD1 D:ASN172 3.3 32.0 1.0
CG D:ASN172 3.4 29.8 1.0
ND2 D:ASN172 3.4 29.4 1.0
C K:THR193 3.5 56.7 1.0
C D:GLN286 3.6 33.6 1.0
N K:SER195 3.8 50.0 1.0
CB K:SER195 4.0 48.6 1.0
CA D:SER287 4.0 36.7 1.0
CA K:HIS194 4.2 53.5 1.0
N D:SER287 4.2 34.8 1.0
OE2 D:GLU227 4.2 36.8 1.0
CB D:ASN172 4.3 29.5 1.0
C K:HIS194 4.3 50.9 1.0
N K:HIS194 4.3 55.0 1.0
C D:SER287 4.4 38.7 1.0
O K:HOH560 4.5 32.6 1.0
CA K:SER195 4.5 47.7 1.0
N D:GLN286 4.5 30.1 1.0
N D:SER288 4.6 41.0 1.0
CG2 K:THR193 4.6 62.0 1.0
CA K:THR193 4.6 58.7 1.0
CA D:GLN286 4.7 31.9 1.0
CA D:ASN172 5.0 28.1 1.0
O D:SER287 5.0 38.2 1.0

Magnesium binding site 8 out of 19 in 4fma

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Magnesium binding site 8 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg403

b:54.7
occ:1.00
O D:ASN310 2.0 59.3 1.0
O D:ARG308 2.3 64.8 1.0
O D:HOH722 2.4 19.7 1.0
O D:PRO305 2.6 59.0 1.0
C D:ASN310 3.3 58.2 1.0
O D:GLU306 3.3 66.9 1.0
C D:ARG308 3.4 64.1 1.0
CA D:GLU306 3.4 65.0 1.0
C D:PRO305 3.4 59.4 1.0
C D:GLU306 3.6 66.2 1.0
O D:PRO309 3.6 64.5 1.0
O D:ALA304 3.7 53.4 1.0
C D:PRO309 3.8 62.8 1.0
N D:GLU306 3.8 62.2 1.0
N D:ASN310 4.0 59.8 1.0
OE2 D:GLU306 4.1 68.3 1.0
N D:GLU311 4.2 56.8 1.0
N D:ARG308 4.2 64.9 1.0
CA D:GLU311 4.2 56.3 1.0
CA D:ARG308 4.2 63.8 1.0
CA D:ASN310 4.2 58.2 1.0
C D:ALA304 4.3 52.4 1.0
N D:PRO309 4.3 63.7 1.0
CA D:PRO309 4.5 64.0 1.0
N D:ASP307 4.5 66.8 1.0
CB D:ARG308 4.5 61.6 1.0
CB D:ALA304 4.5 49.4 1.0
CD D:GLU306 4.6 68.5 1.0
CB D:GLU311 4.7 58.5 1.0
CA D:PRO305 4.7 57.0 1.0
CB D:GLU306 4.7 67.5 1.0
N D:PRO305 4.8 54.1 1.0
C D:ASP307 4.9 67.0 1.0
CG D:GLU311 4.9 60.6 1.0
CG D:GLU306 5.0 69.0 1.0

Magnesium binding site 9 out of 19 in 4fma

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Magnesium binding site 9 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg401

b:47.6
occ:1.00
O E:ARG308 2.3 64.3 1.0
O E:HOH713 2.4 9.3 1.0
O E:ASN310 2.4 56.4 1.0
O E:PRO305 2.6 57.8 1.0
O E:GLU306 3.1 67.1 1.0
C E:GLU306 3.4 66.7 1.0
C E:ARG308 3.4 63.8 1.0
CA E:GLU306 3.5 65.3 1.0
C E:ASN310 3.6 55.3 1.0
C E:PRO305 3.6 58.9 1.0
N E:ARG308 4.0 66.0 1.0
N E:GLU306 4.0 62.4 1.0
O E:ALA304 4.0 51.7 1.0
CA E:ARG308 4.2 64.4 1.0
CG E:GLU311 4.2 59.7 1.0
CA E:GLU311 4.2 53.9 1.0
N E:ASP307 4.3 68.1 1.0
C E:PRO309 4.3 60.9 1.0
O E:PRO309 4.3 62.1 1.0
N E:GLU311 4.3 54.0 1.0
C E:ALA304 4.4 50.9 1.0
N E:ASN310 4.4 57.6 1.0
N E:PRO309 4.5 63.1 1.0
CB E:ALA304 4.5 47.2 1.0
C E:ASP307 4.5 68.3 1.0
CB E:ARG308 4.6 62.1 1.0
CA E:ASN310 4.6 55.3 1.0
CB E:GLU311 4.8 56.2 1.0
CA E:PRO309 4.8 63.0 1.0
CA E:PRO305 4.8 56.7 1.0
N E:PRO305 4.9 53.1 1.0
CB E:GLU306 4.9 68.3 1.0
CA E:ASP307 4.9 70.2 1.0

Magnesium binding site 10 out of 19 in 4fma

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Magnesium binding site 10 out of 19 in the Espg Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Espg Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg401

b:30.7
occ:1.00
O F:THR193 2.3 29.2 1.0
OG F:SER195 2.7 28.3 1.0
N F:SER195 3.5 25.6 1.0
C F:THR193 3.5 28.9 1.0
CB F:SER195 3.6 24.9 1.0
CA F:HIS194 3.9 27.4 1.0
C F:HIS194 3.9 26.0 1.0
N F:HIS194 4.1 27.8 1.0
CA F:SER195 4.1 24.7 1.0
CA F:THR193 4.7 29.8 1.0
O F:HIS194 4.8 25.1 1.0
CG2 F:THR193 5.0 31.2 1.0

Reference:

N.Dong, Y.Zhu, Q.Lu, L.Hu, Y.Zheng, F.Shao. Structurally Distinct Bacterial Tbc-Like Gaps Link Arf Gtpase to RAB1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.) V. 150 1029 2012.
ISSN: ISSN 0092-8674
PubMed: 22939626
DOI: 10.1016/J.CELL.2012.06.050
Page generated: Fri Aug 16 15:11:48 2024

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