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Magnesium in PDB 4kwu: 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium

Protein crystallography data

The structure of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium, PDB code: 4kwu was solved by A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, S.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.92 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 166.125, 102.962, 75.006, 90.00, 104.93, 90.00
R / Rfree (%) 13.5 / 17.1

Other elements in 4kwu:

The structure of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium (pdb code 4kwu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium, PDB code: 4kwu:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 4kwu

Go back to Magnesium Binding Sites List in 4kwu
Magnesium binding site 1 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1101

b:30.6
occ:1.00
 O A:HOH2259 1.9 28.9 1.0
O A:HOH2323 2.0 35.3 1.0
OD1 A:ASP403 2.2 26.6 1.0
O A:HOH1544 2.2 30.6 1.0
O A:GLU401 2.2 25.3 1.0
OD2 A:ASP407 2.2 27.0 1.0
CG A:ASP403 3.2 26.5 1.0
CG A:ASP407 3.3 26.8 1.0
C A:GLU401 3.4 24.1 1.0
OD1 A:ASP407 3.6 27.5 1.0
N A:ASP403 3.7 24.2 1.0
OD2 A:ASP403 3.8 26.5 1.0
CB A:ASP403 4.1 24.7 1.0
NE A:ARG404 4.1 28.9 1.0
N A:TRP402 4.2 24.2 1.0
CA A:GLU401 4.3 23.3 1.0
CA A:TRP402 4.3 23.8 1.0
O A:HOH2392 4.3 51.8 1.0
CB A:GLU401 4.4 23.2 1.0
O A:HOH1764 4.4 39.5 1.0
C A:TRP402 4.4 24.8 1.0
CA A:ASP403 4.5 24.8 1.0
NH2 A:ARG404 4.5 35.9 1.0
OD1 A:ASP694 4.5 36.9 1.0
O A:SER693 4.5 27.7 1.0
CB A:ASP407 4.6 25.6 1.0
CZ A:ARG404 4.7 33.1 1.0
CG A:GLU401 4.9 23.4 1.0
CD A:ARG404 5.0 28.2 1.0

Magnesium binding site 2 out of 8 in 4kwu

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Magnesium binding site 2 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1102

b:25.5
occ:1.00
 O A:HOH1385 2.0 21.4 1.0
O A:HOH1398 2.0 26.3 1.0
O A:HOH1264 2.1 21.1 1.0
O A:HOH1241 2.1 23.9 1.0
OD1 A:ASN377 2.1 23.1 1.0
O A:HOH1354 2.2 23.9 1.0
CG A:ASN377 3.1 20.6 1.0
ND2 A:ASN377 3.4 22.5 1.0
O A:HOH1401 3.7 25.0 1.0
O A:HOH1822 4.0 35.3 1.0
OD2 A:ASP380 4.0 26.8 1.0
OD2 A:ASP183 4.1 27.3 1.0
OD1 A:ASP373 4.2 23.4 1.0
OD2 A:ASP185 4.2 26.7 1.0
O A:HOH2197 4.2 48.3 1.0
OD2 A:ASP373 4.3 25.6 1.0
OD1 A:ASP185 4.3 24.5 1.0
ND2 A:ASN376 4.4 25.2 1.0
CB A:ASN377 4.4 19.6 1.0
NZ A:LYS369 4.5 41.6 1.0
CG A:ASP373 4.6 23.7 1.0
CA A:ASN377 4.7 19.1 1.0
CG A:ASP185 4.7 22.4 1.0
O A:ASP373 5.0 20.6 1.0
N A:ASN377 5.0 19.3 1.0

Magnesium binding site 3 out of 8 in 4kwu

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Magnesium binding site 3 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1103

b:32.7
occ:1.00
 O A:HOH1227 2.0 24.2 1.0
O A:HOH1487 2.0 27.4 1.0
O A:HOH1577 2.1 33.9 1.0
O A:HOH1925 2.1 31.5 1.0
O A:HOH1550 2.1 34.0 1.0
O A:HOH1461 2.2 26.6 1.0
O A:HOH1408 4.0 23.6 1.0
O A:HOH2339 4.1 48.5 1.0
ND2 A:ASN606 4.1 21.4 1.0
O A:HOH1477 4.2 33.7 1.0
O A:HOH2136 4.2 41.2 1.0
O A:GLY558 4.3 24.1 1.0
O A:HOH2165 4.3 51.3 1.0
CG A:ASN606 4.4 22.2 1.0
OD1 A:ASP560 4.4 24.7 1.0
OD1 A:ASN606 4.5 24.0 1.0
O A:HOH2432 4.6 44.6 1.0
CE1 A:HIS475 4.8 26.7 1.0
C A:GLY558 5.0 23.4 1.0

Magnesium binding site 4 out of 8 in 4kwu

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Magnesium binding site 4 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1104

b:50.8
occ:1.00
 O A:HOH2054 2.0 41.6 1.0
O A:HOH2336 2.1 54.2 1.0
O A:HOH2337 2.1 46.0 1.0
O A:HOH2338 2.2 50.4 1.0
O A:HOH1771 2.3 34.8 1.0
O A:HOH2312 2.3 46.0 1.0
O A:HOH1697 4.1 30.7 1.0
O A:HOH2345 4.2 55.5 1.0
O A:HOH1390 4.3 25.5 1.0
NZ A:LYS643 4.3 21.0 1.0
O A:HOH1210 4.5 21.2 1.0
OD2 A:ASP765 4.6 25.3 1.0
O A:HOH1802 4.7 37.5 1.0

Magnesium binding site 5 out of 8 in 4kwu

Go back to Magnesium Binding Sites List in 4kwu
Magnesium binding site 5 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1105

b:51.4
occ:1.00
 O A:HOH2386 2.0 39.4 1.0
O A:HOH2412 2.0 49.1 1.0
O A:HOH1943 2.0 37.2 1.0
O A:HOH1932 2.2 41.5 1.0
O A:HOH2411 2.3 47.1 1.0
O A:HOH1786 4.1 35.0 1.0
O A:HOH1534 4.1 32.4 1.0
O A:HOH1328 4.1 23.1 1.0
O A:GLY510 4.2 23.9 1.0
O A:HOH2116 4.5 38.0 1.0
CB A:SER578 4.9 22.8 1.0
CA A:SER578 4.9 23.5 1.0

Magnesium binding site 6 out of 8 in 4kwu

Go back to Magnesium Binding Sites List in 4kwu
Magnesium binding site 6 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1106

b:59.6
occ:1.00
 O A:HOH2360 1.9 51.4 1.0
O A:HOH2173 2.1 47.5 1.0
O A:HOH1338 2.2 28.7 1.0
O A:HOH2359 2.3 58.0 1.0
O A:GLU884 4.1 25.2 1.0
OD1 A:ASP863 4.2 33.1 1.0
OD2 A:ASP863 4.3 34.8 1.0
O A:HOH1952 4.3 40.1 1.0
CG A:ASP863 4.4 31.2 1.0
O A:HOH1885 4.5 37.5 1.0
CA A:GLY862 4.7 26.0 1.0
C A:GLY862 5.0 25.9 1.0
N A:ASP863 5.0 26.6 1.0

Magnesium binding site 7 out of 8 in 4kwu

Go back to Magnesium Binding Sites List in 4kwu
Magnesium binding site 7 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1107

b:54.2
occ:1.00
 O A:HOH2413 1.9 54.2 1.0
O A:HOH2418 1.9 43.6 1.0
O A:HOH1902 2.1 39.7 1.0
O A:HOH2388 2.3 50.4 1.0
O A:HOH2162 2.5 48.3 1.0
O A:HOH1977 3.0 50.7 1.0
OD1 A:ASP78 4.1 33.5 1.0
O A:GLN77 4.2 28.6 1.0
CA A:GLY76 4.3 33.1 1.0
OD2 A:ASP78 4.4 33.8 1.0
C A:GLY76 4.5 31.3 1.0
O3 A:GLC1117 4.6 45.3 1.0
CG A:ASP78 4.6 30.8 1.0
O A:GLY76 4.7 30.2 1.0
O A:HOH1426 4.7 33.1 1.0
N A:GLN77 4.9 29.0 1.0
N A:GLY76 5.0 33.8 1.0

Magnesium binding site 8 out of 8 in 4kwu

Go back to Magnesium Binding Sites List in 4kwu
Magnesium binding site 8 out of 8 in the 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D- Glucose, Beta-D-Glucose, Magnesium and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1108

b:45.8
occ:1.00
 O A:HOH2169 1.8 57.1 1.0
O A:HOH2408 1.9 65.8 1.0
O A:HOH2410 2.0 56.2 1.0
O A:HOH2015 2.1 49.2 1.0
O A:HOH2409 2.2 68.7 1.0
O A:HOH2290 2.2 51.9 1.0
OD1 A:ASP836 4.1 32.5 1.0
O A:HOH2001 4.2 44.9 1.0
OD1 A:ASN853 4.2 23.3 1.0
O A:HOH1432 4.2 30.1 1.0
O A:ASN931 4.2 36.0 1.0
OE2 A:GLU901 4.3 38.2 1.0
OD2 A:ASP836 4.5 37.2 1.0
O A:HOH2055 4.6 55.8 1.0
CG A:ASP836 4.7 33.0 1.0
O A:HOH1794 4.9 30.0 1.0
NZ A:LYS949 4.9 33.0 1.0

Reference:

A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, S.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.9 Angstrom Resolution Crystal Structure of Uncharacterized Protein LMO2446 From Listeria Monocytogenes Egd-E in Complex with Alpha-D-Glucose, Beta-D-Glucose, Magnesium and Calcium To Be Published.
Page generated: Mon Dec 14 19:05:12 2020

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