Atomistry » Magnesium » PDB 3tnf-3twh » 3tw0
Atomistry »
  Magnesium »
    PDB 3tnf-3twh »
      3tw0 »

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

Go back to Magnesium Binding Sites List in 3tw0
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

Go back to Magnesium Binding Sites List in 3tw0
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

Go back to Magnesium Binding Sites List in 3tw0
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

Go back to Magnesium Binding Sites List in 3tw0
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 Dec 14 08:55:14 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy