Atomistry » Manganese » PDB 4wl8-4xwt » 4xjk
Atomistry »
  Manganese »
    PDB 4wl8-4xwt »
      4xjk »

Manganese in PDB 4xjk: Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin

Protein crystallography data

The structure of Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin, PDB code: 4xjk was solved by C.L.Drennan, S.E.J.Bowman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.24 / 1.76
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 55.279, 49.239, 218.067, 90.00, 94.07, 90.00
R / Rfree (%) 18.5 / 22

Other elements in 4xjk:

The structure of Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin also contains other interesting chemical elements:

Calcium (Ca) 10 atoms
Sodium (Na) 10 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin (pdb code 4xjk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin, PDB code: 4xjk:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in 4xjk

Go back to Manganese Binding Sites List in 4xjk
Manganese binding site 1 out of 5 in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin


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 Mn(II) Ca(II) Na(I) Bound Calprotectin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn103

b:28.4
occ:1.00
NE2 B:HIS95 2.3 31.4 1.0
NE2 B:HIS105 2.3 24.6 1.0
NE2 A:HIS17 2.3 29.4 1.0
NE2 A:HIS27 2.3 27.3 1.0
NE2 B:HIS103 2.3 31.3 1.0
NE2 B:HIS91 2.3 24.9 1.0
CE1 A:HIS17 3.1 24.5 1.0
CD2 B:HIS105 3.2 25.1 1.0
CE1 B:HIS95 3.2 33.9 1.0
CE1 B:HIS91 3.2 27.2 1.0
CE1 B:HIS103 3.2 34.0 1.0
CE1 A:HIS27 3.2 35.7 1.0
CD2 A:HIS27 3.3 30.6 1.0
CD2 A:HIS17 3.3 25.7 1.0
CD2 B:HIS95 3.3 27.6 1.0
CE1 B:HIS105 3.3 26.7 1.0
CD2 B:HIS103 3.3 33.8 1.0
CD2 B:HIS91 3.3 27.7 1.0
ND1 A:HIS17 4.2 26.8 1.0
ND1 B:HIS95 4.3 33.8 1.0
CG A:HIS17 4.3 27.7 1.0
CG B:HIS105 4.3 31.2 1.0
ND1 B:HIS91 4.4 29.1 1.0
ND1 A:HIS27 4.4 36.7 1.0
ND1 B:HIS105 4.4 30.9 1.0
ND1 B:HIS103 4.4 30.6 1.0
CG B:HIS95 4.4 34.0 1.0
CG A:HIS27 4.4 27.4 1.0
CG B:HIS91 4.4 26.5 1.0
CG B:HIS103 4.4 34.3 1.0

Manganese binding site 2 out of 5 in 4xjk

Go back to Manganese Binding Sites List in 4xjk
Manganese binding site 2 out of 5 in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin


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 Mn(II) Ca(II) Na(I) Bound Calprotectin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn103

b:23.9
occ:1.00
NE2 D:HIS95 2.3 27.2 1.0
NE2 C:HIS17 2.3 28.1 1.0
NE2 C:HIS27 2.3 25.7 1.0
NE2 D:HIS105 2.3 27.6 1.0
NE2 D:HIS91 2.3 22.5 1.0
NE2 D:HIS103 2.4 23.7 1.0
CE1 C:HIS17 3.1 25.5 1.0
CD2 D:HIS105 3.2 26.2 1.0
CD2 D:HIS95 3.2 25.5 1.0
CE1 C:HIS27 3.3 29.2 1.0
CE1 D:HIS95 3.3 21.9 1.0
CE1 D:HIS91 3.3 30.9 1.0
CD2 C:HIS27 3.3 25.1 1.0
CD2 C:HIS17 3.3 28.4 1.0
CD2 D:HIS103 3.3 27.0 1.0
CD2 D:HIS91 3.3 25.7 1.0
CE1 D:HIS105 3.4 30.3 1.0
CE1 D:HIS103 3.4 27.4 1.0
ND1 C:HIS17 4.2 26.4 1.0
CG C:HIS17 4.3 32.6 1.0
CG D:HIS105 4.4 25.1 1.0
ND1 D:HIS95 4.4 30.9 1.0
ND1 C:HIS27 4.4 24.4 1.0
CG D:HIS95 4.4 26.8 1.0
ND1 D:HIS91 4.4 23.5 1.0
ND1 D:HIS105 4.4 25.7 1.0
CG C:HIS27 4.4 26.0 1.0
CG D:HIS91 4.5 25.9 1.0
ND1 D:HIS103 4.5 22.5 1.0
CG D:HIS103 4.5 26.5 1.0

Manganese binding site 3 out of 5 in 4xjk

Go back to Manganese Binding Sites List in 4xjk
Manganese binding site 3 out of 5 in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin


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 Mn(II) Ca(II) Na(I) Bound Calprotectin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn103

b:26.1
occ:1.00
NE2 F:HIS95 2.2 27.9 1.0
NE2 F:HIS103 2.3 27.6 1.0
NE2 F:HIS105 2.3 27.1 1.0
NE2 E:HIS27 2.3 26.4 1.0
NE2 E:HIS17 2.3 22.8 1.0
NE2 F:HIS91 2.4 22.7 1.0
CE1 F:HIS95 3.1 31.3 1.0
CD2 F:HIS105 3.2 31.9 1.0
CE1 E:HIS17 3.2 23.8 1.0
CE1 F:HIS103 3.2 30.1 1.0
CE1 E:HIS27 3.2 33.2 1.0
CD2 F:HIS103 3.3 28.0 1.0
CD2 F:HIS95 3.3 31.1 1.0
CE1 F:HIS105 3.3 25.9 1.0
CD2 E:HIS17 3.3 20.5 1.0
CD2 E:HIS27 3.3 24.2 1.0
CD2 F:HIS91 3.3 24.4 1.0
CE1 F:HIS91 3.4 22.7 1.0
ND1 F:HIS95 4.3 31.0 1.0
ND1 E:HIS17 4.3 24.2 1.0
ND1 F:HIS103 4.3 30.7 1.0
CG F:HIS105 4.3 35.2 1.0
ND1 F:HIS105 4.4 31.3 1.0
ND1 E:HIS27 4.4 30.4 1.0
CG F:HIS95 4.4 37.9 1.0
CG E:HIS17 4.4 23.1 1.0
CG F:HIS103 4.4 30.9 1.0
CG E:HIS27 4.4 23.9 1.0
ND1 F:HIS91 4.5 24.0 1.0
CG F:HIS91 4.5 22.0 1.0

Manganese binding site 4 out of 5 in 4xjk

Go back to Manganese Binding Sites List in 4xjk
Manganese binding site 4 out of 5 in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin


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 Mn(II) Ca(II) Na(I) Bound Calprotectin within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn103

b:32.6
occ:1.00
NE2 H:HIS95 2.2 37.6 1.0
NE2 G:HIS17 2.3 29.9 1.0
NE2 H:HIS105 2.3 36.1 1.0
NE2 G:HIS27 2.4 28.8 1.0
NE2 H:HIS103 2.4 28.9 1.0
NE2 H:HIS91 2.4 29.7 1.0
CE1 G:HIS17 3.1 28.3 1.0
CE1 H:HIS95 3.1 37.8 1.0
CD2 H:HIS105 3.2 32.1 1.0
CD2 H:HIS95 3.2 34.9 1.0
CD2 H:HIS103 3.3 38.5 1.0
CD2 G:HIS17 3.3 30.0 1.0
CE1 H:HIS105 3.3 37.2 1.0
CE1 H:HIS91 3.3 32.4 1.0
CE1 G:HIS27 3.3 36.3 1.0
CD2 G:HIS27 3.3 27.0 1.0
CD2 H:HIS91 3.4 32.4 1.0
CE1 H:HIS103 3.4 38.5 1.0
ND1 G:HIS17 4.2 29.2 1.0
ND1 H:HIS95 4.3 39.1 1.0
CG G:HIS17 4.3 31.6 1.0
CG H:HIS95 4.4 39.1 1.0
ND1 H:HIS105 4.4 35.9 1.0
CG H:HIS105 4.4 42.7 1.0
ND1 H:HIS91 4.4 25.7 1.0
ND1 G:HIS27 4.4 34.5 1.0
CG H:HIS103 4.4 40.5 1.0
CG G:HIS27 4.5 32.1 1.0
ND1 H:HIS103 4.5 36.7 1.0
CG H:HIS91 4.5 31.2 1.0

Manganese binding site 5 out of 5 in 4xjk

Go back to Manganese Binding Sites List in 4xjk
Manganese binding site 5 out of 5 in the Crystal Structure of Mn(II) Ca(II) Na(I) Bound Calprotectin


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 Mn(II) Ca(II) Na(I) Bound Calprotectin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn103

b:18.2
occ:1.00
NE2 I:HIS27 2.3 18.6 1.0
NE2 J:HIS105 2.3 19.5 1.0
NE2 J:HIS95 2.3 19.5 1.0
NE2 J:HIS91 2.3 19.3 1.0
NE2 J:HIS103 2.3 19.9 1.0
NE2 I:HIS17 2.4 19.1 1.0
CD2 J:HIS105 3.2 18.8 1.0
CE1 I:HIS17 3.2 16.9 1.0
CD2 I:HIS27 3.2 18.7 1.0
CE1 J:HIS91 3.3 19.5 1.0
CE1 J:HIS95 3.3 18.3 1.0
CD2 J:HIS103 3.3 18.0 1.0
CE1 J:HIS103 3.3 20.6 1.0
CE1 I:HIS27 3.3 19.4 1.0
CD2 J:HIS95 3.3 18.6 1.0
CD2 J:HIS91 3.3 19.6 1.0
CE1 J:HIS105 3.3 21.1 1.0
CD2 I:HIS17 3.4 20.6 1.0
ND1 I:HIS17 4.3 17.3 1.0
CG J:HIS105 4.4 18.2 1.0
ND1 J:HIS91 4.4 19.0 1.0
ND1 I:HIS27 4.4 20.7 1.0
CG I:HIS27 4.4 21.4 1.0
ND1 J:HIS95 4.4 23.3 1.0
ND1 J:HIS103 4.4 17.4 1.0
ND1 J:HIS105 4.4 20.7 1.0
CG I:HIS17 4.4 17.9 1.0
CG J:HIS103 4.4 17.4 1.0
CG J:HIS95 4.4 20.8 1.0
CG J:HIS91 4.4 19.1 1.0

Reference:

D.M.Gagnon, M.B.Brophy, S.E.Bowman, T.A.Stich, C.L.Drennan, R.D.Britt, E.M.Nolan. Manganese Binding Properties of Human Calprotectin Under Conditions of High and Low Calcium: X-Ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis. J.Am.Chem.Soc. V. 137 3004 2015.
ISSN: ESSN 1520-5126
PubMed: 25597447
DOI: 10.1021/JA512204S
Page generated: Tue Dec 15 04:33:19 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