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Magnesium in PDB 3tw0: Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae

Protein crystallography data

The structure of Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae, PDB code: 3tw0 was solved by V.Krishnan, S.V.L.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.30 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 53.071, 77.260, 96.402, 74.12, 87.25, 89.99
R / Rfree (%) 19.8 / 23.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae (pdb code 3tw0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae, PDB code: 3tw0:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3tw0

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Magnesium binding site 1 out of 4 in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:20.2
occ:1.00
 O A:HOH703 1.9 18.5 1.0
OG A:SER231 2.0 16.3 1.0
O A:ACT702 2.1 16.6 1.0
OG1 A:THR354 2.1 15.2 1.0
OG A:SER233 2.2 20.1 1.0
O A:HOH704 2.2 16.5 1.0
CB A:SER231 2.9 15.6 1.0
C A:ACT702 3.1 17.4 1.0
CB A:SER233 3.2 20.7 1.0
OXT A:ACT702 3.3 16.0 1.0
CB A:THR354 3.4 14.7 1.0
CG2 A:THR354 3.7 14.9 1.0
N A:SER233 3.9 19.5 1.0
OD2 A:ASP384 4.1 18.3 1.0
OD1 A:ASP229 4.1 13.7 1.0
CA A:SER233 4.1 19.9 1.0
O A:VAL386 4.1 15.4 1.0
OD1 A:ASP384 4.1 24.0 1.0
CA A:SER231 4.2 16.6 1.0
OD2 A:ASP229 4.3 18.5 1.0
C A:SER231 4.4 16.7 1.0
CA A:THR354 4.4 14.5 1.0
CH3 A:ACT702 4.5 17.4 1.0
CG A:ASP384 4.5 21.1 1.0
N A:THR354 4.6 16.0 1.0
CG A:ASP229 4.6 16.5 1.0
N A:ASN232 4.7 17.3 1.0
C A:SER233 4.8 19.9 1.0
N A:MET234 4.8 19.8 1.0
N A:SER231 4.9 16.3 1.0
O A:GLY352 4.9 18.3 1.0
O A:SER231 4.9 17.4 1.0
CG A:MET234 4.9 17.6 1.0
O A:ASP541 5.0 24.6 1.0
C A:ALA353 5.0 15.4 1.0

Magnesium binding site 2 out of 4 in 3tw0

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Magnesium binding site 2 out of 4 in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:20.1
occ:1.00
 O B:HOH703 1.8 17.9 1.0
OXT B:ACT702 2.0 16.1 1.0
OG B:SER233 2.1 19.7 1.0
OG1 B:THR354 2.1 13.1 1.0
OG B:SER231 2.1 14.3 1.0
O B:HOH704 2.2 17.5 1.0
C B:ACT702 2.9 17.0 1.0
CB B:SER231 3.0 17.5 1.0
O B:ACT702 3.0 16.1 1.0
CB B:SER233 3.2 21.6 1.0
CB B:THR354 3.4 14.0 1.0
CG2 B:THR354 3.8 15.1 1.0
N B:SER233 3.9 22.3 1.0
O B:VAL386 4.0 17.4 1.0
CA B:SER233 4.1 21.8 1.0
OD2 B:ASP384 4.2 21.4 1.0
OD1 B:ASP384 4.2 21.3 1.0
CA B:SER231 4.2 16.9 1.0
OD1 B:ASP229 4.3 17.6 1.0
CH3 B:ACT702 4.4 18.1 1.0
C B:SER231 4.4 17.9 1.0
CA B:THR354 4.4 14.2 1.0
OD2 B:ASP229 4.5 20.1 1.0
N B:THR354 4.6 13.7 1.0
CG B:ASP384 4.6 21.2 1.0
N B:ASN232 4.6 19.5 1.0
O B:GLY352 4.7 17.8 1.0
O B:SER231 4.8 18.1 1.0
C B:SER233 4.8 22.4 1.0
N B:MET234 4.8 22.7 1.0
CG B:ASP229 4.9 17.4 1.0
O B:ASP541 4.9 24.6 1.0
N B:SER231 5.0 16.8 1.0
C B:ALA353 5.0 14.7 1.0

Magnesium binding site 3 out of 4 in 3tw0

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Magnesium binding site 3 out of 4 in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg701

b:18.5
occ:1.00
 O C:HOH703 1.9 18.4 1.0
OXT C:ACT702 2.0 17.2 1.0
OG C:SER231 2.1 14.2 1.0
OG1 C:THR354 2.2 14.4 1.0
OG C:SER233 2.2 14.7 1.0
O C:HOH704 2.3 21.1 1.0
CB C:SER231 3.0 15.9 1.0
CB C:SER233 3.1 18.2 1.0
C C:ACT702 3.1 17.4 1.0
O C:ACT702 3.3 16.0 1.0
CB C:THR354 3.4 14.1 1.0
CG2 C:THR354 3.7 14.1 1.0
N C:SER233 3.8 18.4 1.0
CA C:SER233 4.0 18.1 1.0
OD2 C:ASP384 4.0 19.0 1.0
O C:VAL386 4.1 16.2 1.0
OD1 C:ASP229 4.1 15.1 1.0
OD1 C:ASP384 4.2 21.0 1.0
OD2 C:ASP229 4.2 18.6 1.0
CA C:SER231 4.3 15.4 1.0
C C:SER231 4.4 16.2 1.0
CH3 C:ACT702 4.5 17.8 1.0
CA C:THR354 4.5 14.4 1.0
CG C:ASP384 4.5 19.8 1.0
N C:ASN232 4.6 17.1 1.0
CG C:ASP229 4.6 14.8 1.0
N C:THR354 4.7 14.1 1.0
C C:SER233 4.7 18.3 1.0
N C:MET234 4.8 18.6 1.0
O C:ASP541 4.8 23.8 1.0
O C:SER231 4.9 16.0 1.0
O C:GLY352 4.9 14.5 1.0
N C:SER231 5.0 15.7 1.0

Magnesium binding site 4 out of 4 in 3tw0

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Magnesium binding site 4 out of 4 in the Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Analysis of Adhesive Tip Pilin, GBS104 From Group B Streptococcus Agalactiae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg701

b:22.6
occ:1.00
 O D:HOH703 1.9 19.4 1.0
OG D:SER231 2.1 18.6 1.0
OG D:SER233 2.1 24.5 1.0
O D:HOH704 2.1 23.2 1.0
O D:ACT702 2.1 21.1 1.0
OG1 D:THR354 2.1 16.6 1.0
CB D:SER231 3.1 20.3 1.0
C D:ACT702 3.1 22.4 1.0
CB D:SER233 3.1 24.6 1.0
OXT D:ACT702 3.3 22.1 1.0
CB D:THR354 3.4 15.9 1.0
CG2 D:THR354 3.8 17.7 1.0
N D:SER233 3.9 23.9 1.0
O D:VAL386 4.0 17.1 1.0
CA D:SER233 4.1 23.8 1.0
OD1 D:ASP229 4.1 20.0 1.0
OD1 D:ASP384 4.2 25.3 1.0
OD2 D:ASP384 4.3 22.1 1.0
OD2 D:ASP229 4.3 21.9 1.0
CA D:SER231 4.3 20.1 1.0
CH3 D:ACT702 4.4 22.8 1.0
CA D:THR354 4.5 16.3 1.0
C D:SER231 4.5 20.7 1.0
CG D:ASP384 4.6 23.4 1.0
N D:THR354 4.6 15.5 1.0
CG D:ASP229 4.7 20.2 1.0
N D:ASN232 4.7 22.1 1.0
C D:SER233 4.8 24.3 1.0
N D:MET234 4.9 24.0 1.0
O D:GLY352 4.9 16.6 1.0
O D:SER231 5.0 21.3 1.0
O D:ASP541 5.0 27.8 1.0
N D:SER231 5.0 19.6 1.0

Reference:

V.Krishnan, P.Dwivedi, B.J.Kim, A.Samal, K.Macon, X.Ma, A.Mishra, K.S.Doran, H.Ton-That, S.V.Narayana. Structure of Streptococcus Agalactiae Tip Pilin GBS104: A Model For Gbs Pili Assembly and Host Interactions. Acta Crystallogr.,Sect.D V. 69 1073 2013.
ISSN: ISSN 0907-4449
PubMed: 23695252
DOI: 10.1107/S0907444913004642
Page generated: Mon Aug 11 04:00:51 2025

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