Atomistry » Magnesium » PDB 3jwq-3k8t » 3k4z
Atomistry »
  Magnesium »
    PDB 3jwq-3k8t »
      3k4z »

Magnesium in PDB 3k4z: Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha

Protein crystallography data

The structure of Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha, PDB code: 3k4z was solved by P.M.Alahuhta, Q.Xu, M.E.Himmel, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.04 / 2.11
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 60.578, 94.315, 113.487, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 22.4

Other elements in 3k4z:

The structure of Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha (pdb code 3k4z). 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 Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha, PDB code: 3k4z:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3k4z

Go back to Magnesium Binding Sites List in 3k4z
Magnesium binding site 1 out of 2 in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha


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 Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg290

b:10.7
occ:1.00
O A:THR21 2.0 5.3 1.0
O A:HOH317 2.1 2.0 1.0
OD1 A:ASN53 2.1 10.9 1.0
OD1 A:ASP166 2.1 7.7 1.0
O A:LYS54 2.1 9.8 1.0
OD1 A:ASP23 2.2 8.4 1.0
CG A:ASP166 3.1 11.3 1.0
CG A:ASN53 3.2 13.1 1.0
CG A:ASP23 3.2 10.4 1.0
C A:THR21 3.2 6.0 1.0
C A:LYS54 3.3 9.8 1.0
OD2 A:ASP166 3.4 15.3 1.0
OD2 A:ASP23 3.5 6.4 1.0
N A:LYS54 3.6 9.1 1.0
ND2 A:ASN53 3.7 17.3 1.0
CA A:THR21 3.9 6.3 1.0
CA A:LYS54 4.0 10.2 1.0
CB A:THR21 4.2 6.1 1.0
N A:ASP23 4.3 8.7 1.0
N A:PHE22 4.3 7.3 1.0
OD1 A:ASP167 4.3 9.6 1.0
C A:ASN53 4.3 9.0 1.0
CB A:ASN53 4.4 10.6 1.0
CB A:ASP166 4.4 11.4 1.0
N A:ALA55 4.4 9.5 1.0
CA A:ASN53 4.4 9.9 1.0
CB A:ASP23 4.5 9.1 1.0
C A:PHE22 4.5 8.6 1.0
CB A:PHE22 4.6 7.9 1.0
CA A:ASP23 4.6 9.2 1.0
O A:HOH446 4.6 15.7 1.0
CA A:PHE22 4.6 7.7 1.0
CA A:ALA55 4.7 9.1 1.0
CB A:LYS54 4.8 10.4 1.0
CD2 A:PHE22 4.9 8.5 1.0
N A:ASP167 4.9 11.6 1.0
OG1 A:THR21 4.9 6.0 1.0
CA A:ASP166 4.9 10.8 1.0

Magnesium binding site 2 out of 2 in 3k4z

Go back to Magnesium Binding Sites List in 3k4z
Magnesium binding site 2 out of 2 in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha


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 Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg291

b:16.0
occ:1.00
O A:HOH377 2.0 7.5 1.0
O A:HOH315 2.0 11.3 1.0
O A:HOH401 2.0 15.4 1.0
OE1 A:GLU19 2.1 6.7 1.0
O A:HOH406 2.1 7.3 1.0
O A:HOH400 2.2 9.8 1.0
CD A:GLU19 3.1 8.3 1.0
OE2 A:GLU19 3.5 13.1 1.0
OE1 A:GLU24 3.6 18.4 1.0
O A:HOH407 3.9 11.5 1.0
O A:LEU2 4.0 22.1 1.0
O A:HOH320 4.1 5.7 1.0
O A:HOH408 4.2 10.7 1.0
O A:HOH463 4.3 24.4 1.0
O A:TYR18 4.3 8.8 1.0
O A:HOH351 4.3 4.8 1.0
O A:HOH518 4.4 13.8 1.0
CG A:GLU19 4.4 8.2 1.0
CD A:GLU24 4.7 19.3 1.0
CB A:GLU19 4.8 8.3 1.0
CA A:GLU19 4.8 8.8 1.0
C A:LEU2 4.9 23.3 1.0
CB A:ASP4 5.0 16.0 1.0

Reference:

M.Alahuhta, Q.Xu, Y.J.Bomble, R.Brunecky, W.S.Adney, S.Y.Ding, M.E.Himmel, V.V.Lunin. The Unique Binding Mode of Cellulosomal CBM4 From Clostridium Thermocellum Cellobiohydrolase A. J.Mol.Biol. V. 402 374 2010.
ISSN: ISSN 0022-2836
PubMed: 20654622
DOI: 10.1016/J.JMB.2010.07.028
Page generated: Mon Dec 14 08:21:23 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy