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Magnesium in PDB 5fq7: Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron

Protein crystallography data

The structure of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron, PDB code: 5fq7 was solved by A.J.Glenwright, K.R.Pothula, D.S.Chorev, A.Basle, C.V.Robinson, U.Kleinekathoefer, D.N.Bolam, B.Van Den Berg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.43 / 3.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 123.591, 180.159, 245.747, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.5

Other elements in 5fq7:

The structure of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Sodium (Na) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron (pdb code 5fq7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron, PDB code: 5fq7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5fq7

Go back to Magnesium Binding Sites List in 5fq7
Magnesium binding site 1 out of 2 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1985

b:23.3
occ:1.00
OD1 B:ASN633 2.1 66.2 1.0
O B:ALA631 2.2 61.0 1.0
O A:ALA82 2.3 67.5 1.0
CG B:ASN633 3.3 64.0 1.0
C B:ALA631 3.4 58.3 1.0
C A:ALA82 3.5 66.5 1.0
OG B:SER630 3.6 65.8 1.0
ND2 B:ASN633 3.9 67.5 1.0
CA A:GLY83 4.0 69.6 1.0
N B:ALA631 4.1 57.3 1.0
CA B:ALA631 4.2 58.3 1.0
N A:GLY83 4.2 69.3 1.0
C B:GLY632 4.3 64.5 1.0
N B:ASN633 4.3 64.2 1.0
OD1 A:ASP87 4.4 56.6 1.0
CB B:ALA631 4.4 60.6 1.0
O A:GLY83 4.4 71.2 1.0
CB B:ASN633 4.4 61.1 1.0
CA B:ASN633 4.5 61.7 1.0
N B:GLY632 4.5 61.4 1.0
O B:GLY632 4.6 67.0 1.0
CA A:ALA82 4.6 54.7 1.0
CA B:GLY632 4.7 62.1 1.0
O B:GLY686 4.7 68.2 1.0
CB B:SER630 4.7 59.3 1.0
C A:GLY83 4.7 67.4 1.0
CB A:ALA82 4.8 53.7 1.0
OD2 A:ASP87 4.9 54.3 1.0
C B:SER630 4.9 57.4 1.0
CB A:GLU86 4.9 56.1 1.0
CG A:GLU86 5.0 57.6 1.0
CG A:ASP87 5.0 54.1 1.0

Magnesium binding site 2 out of 2 in 5fq7

Go back to Magnesium Binding Sites List in 5fq7
Magnesium binding site 2 out of 2 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1985

b:38.7
occ:1.00
O C:ALA82 2.2 76.4 1.0
OD1 D:ASN633 2.2 64.5 1.0
O D:ALA631 2.3 62.0 1.0
C C:ALA82 3.3 71.4 1.0
CG D:ASN633 3.4 64.1 1.0
C D:ALA631 3.4 62.3 1.0
OG D:SER630 3.5 75.1 1.0
CA C:GLY83 3.5 73.2 1.0
N C:GLY83 3.9 71.9 1.0
ND2 D:ASN633 4.1 63.1 1.0
N D:ALA631 4.1 62.4 1.0
CA D:ALA631 4.1 62.7 1.0
CB D:ALA631 4.2 63.4 1.0
O C:GLY83 4.3 81.1 1.0
C D:GLY632 4.3 67.4 1.0
O D:GLY632 4.3 74.6 1.0
OD1 C:ASP87 4.4 59.7 1.0
CB C:GLU86 4.4 66.1 1.0
O D:GLY686 4.4 81.5 1.0
N D:ASN633 4.4 65.9 1.0
C C:GLY83 4.4 74.8 1.0
CA D:ASN633 4.5 66.0 1.0
N D:GLY632 4.5 62.3 1.0
CB D:ASN633 4.5 63.5 1.0
CG C:GLU86 4.5 70.5 1.0
CA C:ALA82 4.6 68.0 1.0
OD2 C:ASP87 4.7 58.5 1.0
CG C:ASP87 4.8 59.2 1.0
CB D:SER630 4.8 67.5 1.0
CA D:GLY632 4.8 62.8 1.0
C D:SER630 4.9 64.7 1.0
CB C:ALA82 4.9 69.8 1.0

Reference:

A.J.Glenwright, K.R.Pothula, S.P.Bhamidimarri, D.S.Chorev, A.Basle, S.J.Firbank, H.Zheng, C.V.Robinson, M.Winterhalter, U.Kleinekathofer, D.N.Bolam, B.Van Den Berg. Structural Basis For Nutrient Acquisition By Dominant Members of the Human Gut Microbiota. Nature V. 541 407 2017.
ISSN: ESSN 1476-4687
PubMed: 28077872
DOI: 10.1038/NATURE20828
Page generated: Sun Sep 29 04:22:19 2024

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