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Magnesium in PDB 3se7: Ancient Vana

Protein crystallography data

The structure of Ancient Vana, PDB code: 3se7 was solved by G.D.Wright, M.Morar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 108.10 / 3.07
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.133, 136.032, 178.090, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 26.3

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Ancient Vana (pdb code 3se7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Ancient Vana, PDB code: 3se7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 3se7

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Magnesium binding site 1 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg500

b:9.2
occ:1.00
OE1 A:GLU302 1.9 22.0 1.0
O3G A:ATP400 2.4 8.9 1.0
OD1 A:ASN304 2.4 25.9 1.0
CD A:GLU302 2.8 20.1 1.0
O2B A:ATP400 2.9 5.8 1.0
OE2 A:GLU302 3.2 15.1 1.0
CG A:ASN304 3.5 24.8 1.0
CA A:GLY173 3.7 31.9 1.0
O A:HOH346 3.8 2.0 1.0
PG A:ATP400 3.9 19.2 1.0
CG A:GLU302 4.1 21.4 1.0
PB A:ATP400 4.2 7.3 1.0
N A:SER174 4.2 32.3 1.0
O A:SER172 4.2 33.0 1.0
ND2 A:ASN304 4.3 29.9 1.0
O1G A:ATP400 4.5 19.2 1.0
C A:GLY173 4.5 33.5 1.0
CB A:ASN304 4.5 22.9 1.0
O3B A:ATP400 4.6 11.4 1.0
N A:GLY173 4.8 33.3 1.0
NZ A:LYS130 4.8 15.5 1.0
O1B A:ATP400 4.9 9.6 1.0
O2G A:ATP400 4.9 12.2 1.0
C A:SER172 4.9 33.0 1.0

Magnesium binding site 2 out of 12 in 3se7

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Magnesium binding site 2 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:2.0
occ:1.00
O1G A:ATP400 2.0 19.2 1.0
OD2 A:ASP289 2.0 32.0 1.0
O A:HOH356 2.3 16.3 1.0
O1A A:ATP400 2.4 9.1 1.0
OD1 A:ASN301 2.4 26.0 1.0
OE2 A:GLU302 2.5 15.1 1.0
CG A:ASP289 3.1 29.9 1.0
PG A:ATP400 3.4 19.2 1.0
CG A:ASN301 3.6 27.6 1.0
CD A:GLU302 3.6 20.1 1.0
CB A:ASP289 3.7 28.3 1.0
PA A:ATP400 3.8 10.1 1.0
CB A:GLU302 3.8 24.4 1.0
O3B A:ATP400 3.9 11.4 1.0
O3G A:ATP400 4.1 8.9 1.0
O5' A:ATP400 4.2 9.4 1.0
ND2 A:ASN301 4.2 21.9 1.0
CG A:GLU302 4.2 21.4 1.0
OD1 A:ASP289 4.2 28.1 1.0
CB A:SER250 4.3 35.9 1.0
O2B A:ATP400 4.4 5.8 1.0
NH2 A:ARG287 4.4 33.7 1.0
OG A:SER250 4.5 39.3 1.0
O2G A:ATP400 4.6 12.2 1.0
PB A:ATP400 4.6 7.3 1.0
ND2 A:ASN304 4.6 29.9 1.0
O3A A:ATP400 4.6 7.5 1.0
OE1 A:GLU302 4.7 22.0 1.0
C3' A:ATP400 4.7 7.0 1.0
CB A:ASN301 4.8 29.3 1.0
O2A A:ATP400 4.8 6.6 1.0
O3' A:ATP400 4.9 9.8 1.0

Magnesium binding site 3 out of 12 in 3se7

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Magnesium binding site 3 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg500

b:2.0
occ:1.00
OE1 B:GLU302 2.1 16.9 1.0
O3G B:ATP400 2.2 12.2 1.0
OD1 B:ASN304 2.2 19.4 1.0
O2B B:ATP400 2.5 12.6 1.0
OE2 B:GLU302 2.7 20.8 1.0
CD B:GLU302 2.7 22.4 1.0
CG B:ASN304 3.4 19.5 1.0
PG B:ATP400 3.5 13.7 1.0
PB B:ATP400 3.8 14.4 1.0
CA B:GLY173 3.9 29.3 1.0
O1G B:ATP400 3.9 12.4 1.0
ND2 B:ASN304 4.0 21.6 1.0
N B:SER174 4.1 30.4 1.0
O3B B:ATP400 4.2 16.1 1.0
CG B:GLU302 4.2 22.7 1.0
O B:HOH344 4.4 2.0 1.0
O B:SER172 4.5 29.1 1.0
C B:GLY173 4.6 30.9 1.0
O1B B:ATP400 4.6 11.1 1.0
CB B:ASN304 4.6 19.3 1.0
O2G B:ATP400 4.8 7.4 1.0
O B:HOH389 4.8 30.0 1.0
NH2 B:ARG287 4.9 24.1 1.0
MG B:MG501 4.9 2.0 1.0

Magnesium binding site 4 out of 12 in 3se7

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Magnesium binding site 4 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:2.0
occ:1.00
O1G B:ATP400 1.9 12.4 1.0
O1A B:ATP400 2.1 14.6 1.0
OD2 B:ASP289 2.4 29.6 1.0
OD1 B:ASN301 2.5 25.4 1.0
OE2 B:GLU302 2.9 20.8 1.0
PG B:ATP400 3.4 13.7 1.0
CG B:ASP289 3.4 28.6 1.0
PA B:ATP400 3.6 13.7 1.0
CG B:ASN301 3.7 22.8 1.0
CB B:ASP289 3.9 26.6 1.0
O3B B:ATP400 4.0 16.1 1.0
CD B:GLU302 4.0 22.4 1.0
O3' B:ATP400 4.2 6.4 1.0
O5' B:ATP400 4.2 11.1 1.0
CB B:GLU302 4.2 21.3 1.0
O2B B:ATP400 4.2 12.6 1.0
NH2 B:ARG287 4.2 24.1 1.0
O3G B:ATP400 4.3 12.2 1.0
O B:HOH385 4.4 30.0 1.0
ND2 B:ASN301 4.5 17.7 1.0
O2G B:ATP400 4.5 7.4 1.0
CB B:SER250 4.5 39.6 1.0
O3A B:ATP400 4.5 13.9 1.0
OD1 B:ASP289 4.5 29.8 1.0
PB B:ATP400 4.6 14.4 1.0
CG B:GLU302 4.6 22.7 1.0
O2A B:ATP400 4.6 13.2 1.0
C3' B:ATP400 4.6 7.6 1.0
ND2 B:ASN304 4.6 21.6 1.0
OG B:SER250 4.8 40.9 1.0
CB B:ASN301 4.8 22.7 1.0
MG B:MG500 4.9 2.0 1.0

Magnesium binding site 5 out of 12 in 3se7

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Magnesium binding site 5 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg500

b:6.5
occ:1.00
OE1 C:GLU302 1.8 22.3 1.0
OD1 C:ASN304 2.3 18.3 1.0
O3G C:ATP400 2.5 18.4 1.0
O2B C:ATP400 2.6 11.6 1.0
CD C:GLU302 3.0 25.1 1.0
CG C:ASN304 3.5 21.9 1.0
OE2 C:GLU302 3.6 28.4 1.0
CA C:GLY173 3.6 26.6 1.0
PG C:ATP400 3.8 18.7 1.0
PB C:ATP400 3.9 17.2 1.0
N C:SER174 4.0 27.8 1.0
O1G C:ATP400 4.1 19.1 1.0
CG C:GLU302 4.2 22.9 1.0
O C:HOH367 4.3 2.0 1.0
O C:SER172 4.3 27.2 1.0
ND2 C:ASN304 4.4 23.4 1.0
O3B C:ATP400 4.4 19.0 1.0
C C:GLY173 4.4 27.3 1.0
CB C:ASN304 4.5 19.8 1.0
O1B C:ATP400 4.6 17.6 1.0
O C:HOH379 4.7 30.0 1.0
O C:HOH375 4.7 30.0 1.0
N C:GLY173 4.8 26.8 1.0

Magnesium binding site 6 out of 12 in 3se7

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Magnesium binding site 6 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:2.0
occ:1.00
O1A C:ATP400 2.2 22.5 1.0
OD2 C:ASP289 2.2 23.9 1.0
O1G C:ATP400 2.3 19.1 1.0
OE2 C:GLU302 2.3 28.4 1.0
OD1 C:ASN301 2.4 22.5 1.0
CG C:ASP289 3.3 25.0 1.0
CD C:GLU302 3.5 25.1 1.0
CG C:ASN301 3.6 25.6 1.0
CB C:ASP289 3.6 23.4 1.0
PG C:ATP400 3.6 18.7 1.0
PA C:ATP400 3.6 23.2 1.0
CB C:GLU302 4.1 22.5 1.0
O3B C:ATP400 4.1 19.0 1.0
O5' C:ATP400 4.2 19.5 1.0
O3' C:ATP400 4.2 17.3 1.0
ND2 C:ASN301 4.2 23.2 1.0
OE1 C:GLU302 4.3 22.3 1.0
OD1 C:ASP289 4.4 24.2 1.0
CG C:GLU302 4.4 22.9 1.0
O2B C:ATP400 4.4 11.6 1.0
C3' C:ATP400 4.5 15.1 1.0
O3A C:ATP400 4.5 18.9 1.0
NH2 C:ARG287 4.5 15.7 1.0
ND2 C:ASN304 4.6 23.4 1.0
O3G C:ATP400 4.6 18.4 1.0
O2A C:ATP400 4.6 23.2 1.0
PB C:ATP400 4.7 17.2 1.0
CB C:SER250 4.7 32.9 1.0
CB C:ASN301 4.7 25.6 1.0
O2G C:ATP400 4.7 15.2 1.0
OG C:SER250 4.8 35.6 1.0

Magnesium binding site 7 out of 12 in 3se7

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Magnesium binding site 7 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg500

b:7.0
occ:1.00
OE1 D:GLU302 1.8 25.7 1.0
OD1 D:ASN304 2.2 20.9 1.0
O3G D:ATP400 2.2 14.7 1.0
O2B D:ATP400 2.7 16.6 1.0
CD D:GLU302 2.8 27.8 1.0
OE2 D:GLU302 3.2 27.4 1.0
CG D:ASN304 3.4 23.1 1.0
PG D:ATP400 3.5 16.2 1.0
CA D:GLY173 3.7 37.8 1.0
O1G D:ATP400 3.8 11.9 1.0
N D:SER174 4.0 37.1 1.0
PB D:ATP400 4.0 16.7 1.0
ND2 D:ASN304 4.1 24.4 1.0
CG D:GLU302 4.1 25.5 1.0
O3B D:ATP400 4.3 15.1 1.0
O D:HOH377 4.4 30.0 1.0
C D:GLY173 4.4 39.2 1.0
CB D:ASN304 4.5 23.9 1.0
O D:SER172 4.5 36.7 1.0
O2G D:ATP400 4.7 13.1 1.0
N D:GLY173 4.9 37.9 1.0
NH2 D:ARG287 4.9 24.6 1.0
MG D:MG501 5.0 2.0 1.0
O1B D:ATP400 5.0 12.3 1.0

Magnesium binding site 8 out of 12 in 3se7

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Magnesium binding site 8 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:2.0
occ:1.00
O D:HOH354 2.0 27.8 1.0
O1G D:ATP400 2.2 11.9 1.0
OE2 D:GLU302 2.2 27.4 1.0
OD2 D:ASP289 2.2 23.6 1.0
O1A D:ATP400 2.3 16.4 1.0
OD1 D:ASN301 2.5 26.7 1.0
CG D:ASP289 3.3 24.7 1.0
CD D:GLU302 3.4 27.8 1.0
PG D:ATP400 3.5 16.2 1.0
CG D:ASN301 3.6 26.1 1.0
PA D:ATP400 3.7 17.5 1.0
CB D:ASP289 3.7 25.0 1.0
O3B D:ATP400 3.9 15.1 1.0
CB D:GLU302 3.9 22.3 1.0
O3' D:ATP400 4.2 20.4 1.0
ND2 D:ASN301 4.2 23.0 1.0
O5' D:ATP400 4.2 16.5 1.0
OE1 D:GLU302 4.3 25.7 1.0
CG D:GLU302 4.3 25.5 1.0
OD1 D:ASP289 4.4 26.4 1.0
O3G D:ATP400 4.4 14.7 1.0
O2B D:ATP400 4.4 16.6 1.0
NH2 D:ARG287 4.5 24.6 1.0
O3A D:ATP400 4.5 13.5 1.0
ND2 D:ASN304 4.5 24.4 1.0
C3' D:ATP400 4.5 16.3 1.0
PB D:ATP400 4.6 16.7 1.0
CB D:SER250 4.6 39.4 1.0
O2G D:ATP400 4.7 13.1 1.0
CB D:ASN301 4.8 25.1 1.0
OG D:SER250 4.8 39.4 1.0
O2A D:ATP400 4.8 15.0 1.0
MG D:MG500 5.0 7.0 1.0

Magnesium binding site 9 out of 12 in 3se7

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Magnesium binding site 9 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg500

b:6.3
occ:1.00
OE1 E:GLU302 1.7 27.5 1.0
O3G E:ATP400 2.2 16.4 1.0
OD1 E:ASN304 2.4 24.4 1.0
O2B E:ATP400 2.6 17.8 1.0
CD E:GLU302 2.9 27.6 1.0
OE2 E:GLU302 3.4 27.8 1.0
CA E:GLY173 3.6 33.5 1.0
CG E:ASN304 3.6 24.3 1.0
PG E:ATP400 3.7 19.6 1.0
PB E:ATP400 3.9 21.0 1.0
CG E:GLU302 4.0 26.2 1.0
O E:HOH355 4.1 3.4 1.0
N E:SER174 4.1 34.9 1.0
O E:SER172 4.3 33.2 1.0
O3B E:ATP400 4.3 21.5 1.0
O1G E:ATP400 4.4 18.9 1.0
ND2 E:ASN304 4.4 25.5 1.0
C E:GLY173 4.4 35.1 1.0
O E:HOH350 4.5 2.0 1.0
CB E:ASN304 4.7 24.7 1.0
O1B E:ATP400 4.7 16.7 1.0
O E:HOH379 4.8 30.0 1.0
N E:GLY173 4.8 33.8 1.0
O2G E:ATP400 4.8 14.0 1.0
C E:SER172 5.0 32.6 1.0
NH2 E:ARG287 5.0 17.0 1.0

Magnesium binding site 10 out of 12 in 3se7

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Magnesium binding site 10 out of 12 in the Ancient Vana


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Ancient Vana within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg501

b:2.0
occ:1.00
O1A E:ATP400 2.2 16.4 1.0
O1G E:ATP400 2.2 18.9 1.0
OE2 E:GLU302 2.3 27.8 1.0
OD2 E:ASP289 2.4 28.3 1.0
OD1 E:ASN301 2.5 27.9 1.0
CG E:ASP289 3.4 30.2 1.0
CD E:GLU302 3.5 27.6 1.0
PG E:ATP400 3.5 19.6 1.0
PA E:ATP400 3.6 14.4 1.0
CG E:ASN301 3.6 28.2 1.0
O3' E:ATP400 3.8 9.2 1.0
CB E:ASP289 3.8 27.2 1.0
O5' E:ATP400 4.0 15.2 1.0
CB E:GLU302 4.1 27.0 1.0
ND2 E:ASN301 4.1 26.1 1.0
CB E:SER250 4.2 38.9 1.0
O3G E:ATP400 4.2 16.4 1.0
O3B E:ATP400 4.2 21.5 1.0
OG E:SER250 4.3 40.4 1.0
OE1 E:GLU302 4.4 27.5 1.0
C3' E:ATP400 4.4 10.5 1.0
CG E:GLU302 4.4 26.2 1.0
OD1 E:ASP289 4.4 33.0 1.0
O2B E:ATP400 4.5 17.8 1.0
O3A E:ATP400 4.5 18.1 1.0
NH2 E:ARG287 4.5 17.0 1.0
O2A E:ATP400 4.6 13.5 1.0
PB E:ATP400 4.7 21.0 1.0
O2G E:ATP400 4.7 14.0 1.0
CB E:ASN301 4.8 29.8 1.0
ND2 E:ASN304 4.8 25.5 1.0

Reference:

V.M.D'costa, C.E.King, L.Kalan, M.Morar, W.W.Sung, C.Schwarz, D.Froese, G.Zazula, F.Calmels, R.Debruyne, G.B.Golding, H.N.Poinar, G.D.Wright. Antibiotic Resistance Is Ancient. Nature V. 477 457 2011.
ISSN: ISSN 0028-0836
PubMed: 21881561
DOI: 10.1038/NATURE10388
Page generated: Thu Aug 15 10:54:07 2024

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