Atomistry » Manganese » PDB 4lta-4mu3 » 4mr0
Atomistry »
  Manganese »
    PDB 4lta-4mu3 »
      4mr0 »

Manganese in PDB 4mr0: Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae

Protein crystallography data

The structure of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae, PDB code: 4mr0 was solved by K.Ponnuraj, D.S.J.Beulin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.590, 126.080, 63.480, 90.00, 99.60, 90.00
R / Rfree (%) 20.4 / 22.2

Other elements in 4mr0:

The structure of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Calcium (Ca) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae (pdb code 4mr0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae, PDB code: 4mr0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 1 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn704

b:19.5
occ:1.00
 OE2 A:GLU198 2.2 18.6 1.0
O A:THR236 2.2 16.0 1.0
O A:HOH1026 2.3 21.7 1.0
NE2 A:HIS225 2.3 15.5 1.0
O A:HOH974 2.4 19.2 1.0
O A:HOH1027 2.4 14.8 1.0
CD2 A:HIS225 3.2 14.9 1.0
CD A:GLU198 3.2 19.4 1.0
C A:THR236 3.3 18.1 1.0
CE1 A:HIS225 3.4 15.0 1.0
OE1 A:GLU198 3.5 19.1 1.0
CA A:THR236 3.8 16.7 1.0
OD2 A:ASP237 4.3 23.1 1.0
O A:HOH846 4.3 22.9 1.0
O A:PHE235 4.4 18.0 1.0
CG A:HIS225 4.4 16.4 1.0
ND1 A:HIS225 4.4 15.7 1.0
CD1 A:PHE235 4.4 17.3 1.0
N A:ASP237 4.5 18.7 1.0
CD1 A:ILE222 4.6 19.9 1.0
CG A:GLU198 4.6 16.5 1.0
N A:THR236 4.6 17.4 1.0
CG A:ASP237 4.6 22.2 1.0
CE1 A:PHE235 4.6 17.6 1.0
OD1 A:ASP237 4.8 23.0 1.0
C A:PHE235 4.8 17.8 1.0
CA A:ASP237 4.9 19.1 1.0
CB A:THR236 5.0 18.2 1.0

Manganese binding site 2 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 2 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn705

b:23.9
occ:1.00
 O A:GLY350 2.2 17.0 1.0
OE1 A:GLN342 2.2 15.1 1.0
OE2 A:GLU344 2.3 19.9 1.0
OE1 A:GLN307 2.3 16.5 1.0
OE1 A:GLU344 2.6 19.1 1.0
CD A:GLU344 2.8 18.2 1.0
MN A:MN707 3.1 50.1 1.0
CD A:GLN342 3.1 18.8 1.0
C A:GLY350 3.3 18.0 1.0
CD A:GLN307 3.4 18.6 1.0
O A:HOH1042 3.4 54.8 1.0
NE2 A:GLN342 3.6 18.1 1.0
CG A:GLN307 3.9 16.8 1.0
O A:HOH878 3.9 30.3 1.0
CA A:GLY350 3.9 18.3 1.0
CG A:GLU344 4.3 17.8 1.0
CG A:GLN342 4.3 15.9 1.0
N A:PHE351 4.4 15.4 1.0
NE2 A:HIS304 4.4 18.8 1.0
CB A:GLN307 4.4 15.6 1.0
CD2 A:HIS304 4.5 18.5 1.0
NE2 A:GLN307 4.5 16.5 1.0
O A:HOH1040 4.5 37.7 1.0
O A:HOH903 4.7 14.1 1.0
CA A:PHE351 4.7 15.0 1.0
O A:HOH1076 4.8 47.8 1.0
CD1 A:PHE351 4.8 14.9 1.0
CB A:GLN342 4.9 14.8 1.0

Manganese binding site 3 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 3 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn706

b:46.3
occ:1.00
 O A:HOH1028 2.0 31.2 1.0
O A:HOH1030 2.1 44.4 1.0
O A:HOH1029 2.1 37.8 1.0
O A:HOH1041 2.4 42.2 1.0
NE2 A:HIS440 3.5 26.9 1.0
N A:GLY379 3.7 22.6 1.0
O A:HOH978 3.9 26.1 1.0
N A:LEU326 4.0 26.0 1.0
CA A:SER378 4.1 25.2 1.0
CA A:ALA325 4.1 22.8 1.0
CE1 A:HIS440 4.2 25.9 1.0
CB A:SER378 4.3 25.6 1.0
CD1 A:LEU263 4.3 26.5 1.0
O A:GLN324 4.4 20.2 1.0
C A:SER378 4.4 23.4 1.0
CD2 A:HIS440 4.6 26.0 1.0
O A:LEU326 4.6 31.7 1.0
C A:ALA325 4.6 24.5 1.0
CA A:GLY379 4.7 21.8 1.0
CB A:ALA325 4.7 22.1 1.0
CG A:LEU263 4.7 26.3 1.0
O A:LYS377 4.8 28.2 1.0
CG1 A:VAL439 4.9 32.6 1.0

Manganese binding site 4 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 4 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn707

b:50.1
occ:1.00
 O A:HOH1040 2.1 37.7 1.0
O A:HOH1076 2.2 47.8 1.0
O A:HOH1042 2.2 54.8 1.0
MN A:MN705 3.1 23.9 1.0
O A:HOH878 3.5 30.3 1.0
O A:GLY350 3.7 17.0 1.0
OE1 A:GLN342 3.7 15.1 1.0
NE2 A:GLN342 3.8 18.1 1.0
NE2 A:HIS304 3.8 18.8 1.0
O A:HOH998 3.9 31.9 1.0
CA A:GLY350 3.9 18.3 1.0
O A:HOH975 4.1 32.8 1.0
C A:GLY350 4.2 18.0 1.0
CD A:GLN342 4.2 18.8 1.0
OE1 A:GLU344 4.3 19.1 1.0
NE2 A:HIS388 4.3 22.4 1.0
CE1 A:HIS388 4.4 20.8 1.0
O A:LYS349 4.4 19.6 1.0
OE1 A:GLN307 4.5 16.5 1.0
CD2 A:HIS304 4.6 18.5 1.0
CE1 A:HIS304 4.7 19.4 1.0

Manganese binding site 5 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 5 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn704

b:18.4
occ:1.00
 O B:THR236 2.2 16.4 1.0
OE1 B:GLU198 2.2 20.2 1.0
O B:HOH1001 2.3 19.6 1.0
O B:HOH1007 2.3 17.4 1.0
O B:HOH1009 2.3 23.5 1.0
NE2 B:HIS225 2.4 15.6 1.0
CD2 B:HIS225 3.2 17.4 1.0
CD B:GLU198 3.2 21.6 1.0
C B:THR236 3.2 17.7 1.0
CE1 B:HIS225 3.4 16.0 1.0
OE2 B:GLU198 3.5 19.1 1.0
CA B:THR236 3.7 18.7 1.0
O B:HOH970 4.1 34.7 1.0
OD1 B:ASP237 4.3 22.1 1.0
O B:HOH963 4.3 26.0 1.0
O B:PHE235 4.3 19.2 1.0
CG B:HIS225 4.4 17.7 1.0
N B:ASP237 4.4 18.5 1.0
CD2 B:PHE235 4.4 18.6 1.0
ND1 B:HIS225 4.5 17.4 1.0
CD1 B:ILE222 4.5 20.6 1.0
CG B:GLU198 4.5 18.6 1.0
N B:THR236 4.5 17.9 1.0
CE2 B:PHE235 4.6 20.1 1.0
CG B:ASP237 4.7 20.0 1.0
C B:PHE235 4.8 18.7 1.0
CA B:ASP237 4.8 20.4 1.0
CB B:THR236 4.9 19.3 1.0
OD2 B:ASP237 4.9 20.0 1.0

Manganese binding site 6 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 6 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn705

b:28.1
occ:1.00
 O B:GLY350 2.3 20.6 1.0
OE1 B:GLN307 2.3 16.9 1.0
OE1 B:GLN342 2.3 15.6 1.0
OE2 B:GLU344 2.4 22.9 1.0
OE1 B:GLU344 2.6 21.4 1.0
CD B:GLU344 2.8 21.4 1.0
CD B:GLN342 3.2 18.2 1.0
MN B:MN707 3.3 50.1 1.0
CD B:GLN307 3.3 19.0 1.0
C B:GLY350 3.4 22.6 1.0
O B:HOH1065 3.7 33.4 1.0
NE2 B:GLN342 3.8 21.0 1.0
O B:HOH1031 3.8 46.6 1.0
CG B:GLN307 3.9 14.5 1.0
CA B:GLY350 4.0 24.1 1.0
CG B:GLU344 4.3 20.3 1.0
CG B:GLN342 4.3 17.9 1.0
CB B:GLN307 4.4 14.8 1.0
NE2 B:HIS304 4.4 17.4 1.0
CD2 B:HIS304 4.4 20.0 1.0
N B:PHE351 4.4 20.4 1.0
NE2 B:GLN307 4.5 15.7 1.0
O B:HOH816 4.5 19.6 1.0
CA B:PHE351 4.7 19.3 1.0
CD1 B:PHE351 4.8 14.2 1.0
CB B:GLN342 4.9 15.7 1.0

Manganese binding site 7 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 7 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn706

b:39.8
occ:1.00
 O B:HOH1010 2.0 29.0 1.0
O B:HOH1012 2.0 42.5 1.0
O B:HOH1011 2.1 30.5 1.0
O B:HOH1013 2.4 30.7 1.0
NE2 B:HIS440 3.4 21.8 1.0
O B:HOH962 3.8 23.6 1.0
N B:GLY379 3.9 20.9 1.0
N B:LEU326 3.9 25.1 1.0
CA B:ALA325 4.0 22.7 1.0
CE1 B:HIS440 4.1 21.0 1.0
CD1 B:LEU263 4.1 26.1 1.0
CA B:SER378 4.3 22.7 1.0
O B:GLN324 4.3 20.0 1.0
CB B:SER378 4.4 23.7 1.0
CD2 B:HIS440 4.4 22.0 1.0
O B:LEU326 4.4 28.6 1.0
C B:ALA325 4.5 24.2 1.0
CB B:ALA325 4.6 22.6 1.0
C B:SER378 4.6 22.0 1.0
O B:HOH924 4.6 24.8 1.0
CG B:LEU263 4.7 26.0 1.0
O B:HOH859 4.7 46.2 1.0
CA B:GLY379 4.8 21.6 1.0
CA B:LEU326 4.9 26.8 1.0
O B:LYS377 5.0 26.0 1.0

Manganese binding site 8 out of 8 in 4mr0

Go back to Manganese Binding Sites List in 4mr0
Manganese binding site 8 out of 8 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn707

b:50.1
occ:1.00
 O B:HOH1031 2.3 46.6 1.0
MN B:MN705 3.3 28.1 1.0
O B:HOH1065 3.5 33.4 1.0
NE2 B:HIS304 3.6 17.4 1.0
OE1 B:GLN342 3.7 15.6 1.0
NE2 B:GLN342 3.8 21.0 1.0
O B:GLY350 3.9 20.6 1.0
NE2 B:HIS388 4.0 25.1 1.0
CE1 B:HIS388 4.1 24.3 1.0
O B:HOH1032 4.2 39.5 1.0
CD B:GLN342 4.2 18.2 1.0
CA B:GLY350 4.2 24.1 1.0
CD2 B:HIS304 4.4 20.0 1.0
CE1 B:HIS304 4.5 20.6 1.0
C B:GLY350 4.5 22.6 1.0
OE1 B:GLU344 4.5 21.4 1.0
OE1 B:GLN307 4.6 16.9 1.0
O B:LYS349 4.7 29.2 1.0
O B:HOH816 4.9 19.6 1.0

Reference:

D.S.J.Beulin, M.Yamaguchi, S.Kawabata, K.Ponnuraj. Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae, Provides Hints Into Its Interaction with Fibronectin Int.J.Biol.Macromol. V. 64C 168 2013.
ISSN: ISSN 0141-8130
PubMed: 24321492
DOI: 10.1016/J.IJBIOMAC.2013.11.035
Page generated: Sat Oct 5 20:25:11 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy