Atomistry » Manganese » PDB 6i90-6jr1 » 6i94
Atomistry »
  Manganese »
    PDB 6i90-6jr1 »
      6i94 »

Manganese in PDB 6i94: R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe)

Enzymatic activity of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe)

All present enzymatic activity of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe):
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe), PDB code: 6i94 was solved by J.J.Griese, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.79 / 1.70
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.815, 97.200, 126.921, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.1

Manganese Binding Sites:

The binding sites of Manganese atom in the R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe) (pdb code 6i94). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe), PDB code: 6i94:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 6i94

Go back to Manganese Binding Sites List in 6i94
Manganese binding site 1 out of 3 in the R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:23.4
occ:1.00
 OE2 A:GLU69 2.1 23.8 1.0
OE2 A:GLU102 2.1 22.2 1.0
ND1 A:HIS105 2.2 22.2 1.0
O A:HOH509 2.2 44.2 1.0
OE2 A:GLU202 2.3 27.6 1.0
CE1 A:HIS105 3.0 22.8 1.0
HE1 A:HIS105 3.0 27.4 1.0
CD A:GLU69 3.1 29.2 1.0
CD A:GLU102 3.2 21.9 1.0
CG A:HIS105 3.3 18.7 1.0
OE1 A:GLU69 3.3 30.5 1.0
CD A:GLU202 3.3 31.3 1.0
OE1 A:GLU102 3.6 24.8 1.0
HB2 A:HIS105 3.6 25.5 1.0
HB3 A:HIS105 3.6 25.5 1.0
OE2 A:GLU167 3.6 36.5 1.0
HG21 A:VAL72 3.6 29.9 1.0
MN A:MN403 3.6 24.4 1.0
HA A:GLU102 3.7 26.8 1.0
CB A:HIS105 3.7 21.2 1.0
HG A:LEU198 3.9 41.2 1.0
HG3 A:GLU202 4.0 31.5 1.0
HD21 A:LEU198 4.0 48.9 1.0
HG2 A:GLU202 4.1 31.5 1.0
CG A:GLU202 4.1 26.3 1.0
NE2 A:HIS105 4.2 24.3 1.0
OE1 A:GLU202 4.2 25.8 1.0
HE1 A:HIS205 4.3 28.0 1.0
HA A:GLU69 4.3 29.1 1.0
HG23 A:VAL72 4.3 29.9 1.0
CD2 A:HIS105 4.3 23.6 1.0
CG2 A:VAL72 4.4 24.9 1.0
HD11 A:LEU198 4.4 31.4 1.0
CG A:GLU69 4.4 26.6 1.0
CG A:GLU102 4.5 19.4 1.0
HB3 A:GLU69 4.6 28.8 1.0
CA A:GLU102 4.6 22.4 1.0
CG A:LEU198 4.6 34.3 1.0
OH A:TYR175 4.6 40.9 0.6
HG22 A:VAL72 4.7 29.9 1.0
CD2 A:LEU198 4.7 40.7 1.0
HH A:TYR175 4.7 49.1 0.6
HB3 A:GLU102 4.7 26.0 1.0
HD22 A:LEU68 4.7 33.2 1.0
HD23 A:LEU68 4.8 33.2 1.0
HD23 A:LEU198 4.8 48.9 1.0
HG3 A:GLU69 4.8 31.9 1.0
CD A:GLU167 4.8 31.4 1.0
CE1 A:HIS205 4.8 23.4 1.0
CB A:GLU102 4.9 21.6 1.0
ND1 A:HIS205 4.9 25.1 1.0
HE2 A:HIS105 4.9 29.1 1.0
HD21 A:LEU68 4.9 33.2 1.0
CB A:GLU69 4.9 24.0 1.0

Manganese binding site 2 out of 3 in 6i94

Go back to Manganese Binding Sites List in 6i94
Manganese binding site 2 out of 3 in the R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:93.6
occ:1.00
 NE2 A:HIS130 2.3 33.2 1.0
CD2 A:HIS130 3.2 42.6 1.0
CE1 A:HIS130 3.2 46.0 1.0
HD2 A:HIS130 3.4 51.1 1.0
HE1 A:HIS130 3.4 55.2 1.0
O A:HOH522 4.0 42.9 1.0
OD2 A:ASP129 4.3 58.5 1.0
ND1 A:HIS130 4.3 44.1 1.0
CG A:HIS130 4.4 37.8 1.0
OD1 A:ASP129 4.5 41.2 1.0
O A:HOH584 4.7 43.7 1.0
HA3 A:GLY240 4.7 40.8 1.0
O A:HOH610 4.9 58.0 1.0
CG A:ASP129 4.9 47.0 1.0

Manganese binding site 3 out of 3 in 6i94

Go back to Manganese Binding Sites List in 6i94
Manganese binding site 3 out of 3 in the R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of R2-Like Ligand-Binding Oxidase G68L Mutant with Non-Activated Mn/Mn Cofactor (After Aerobic Reconstitution with Mn and Fe) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn403

b:24.4
occ:1.00
 OE2 A:GLU167 2.0 36.5 1.0
OE1 A:GLU102 2.1 24.8 1.0
ND1 A:HIS205 2.1 25.1 1.0
OE1 A:GLU202 2.2 25.8 1.0
OE1 A:GLU167 2.2 25.6 1.0
OE2 A:GLU202 2.3 27.6 1.0
CD A:GLU167 2.4 31.4 1.0
CD A:GLU202 2.5 31.3 1.0
CE1 A:HIS205 3.0 23.4 1.0
CD A:GLU102 3.1 21.9 1.0
HE1 A:HIS205 3.2 28.0 1.0
CG A:HIS205 3.2 21.6 1.0
HB3 A:HIS205 3.3 31.9 1.0
OE2 A:GLU102 3.4 22.2 1.0
HB2 A:HIS205 3.5 31.9 1.0
CB A:HIS205 3.6 26.6 1.0
MN A:MN401 3.6 23.4 1.0
HE2 A:PHE98 3.7 30.3 1.0
CG A:GLU167 3.9 29.1 1.0
HZ A:PHE98 3.9 32.1 1.0
CE2 A:PHE98 3.9 25.3 1.0
CG A:GLU202 4.0 26.3 1.0
HE2 A:TYR162 4.0 33.6 1.0
HA A:GLU202 4.0 30.4 1.0
CZ A:PHE98 4.0 26.7 1.0
HB3 A:GLU167 4.1 36.7 1.0
NE2 A:HIS205 4.2 26.3 1.0
HG2 A:GLU167 4.3 34.9 1.0
HE1 A:HIS105 4.3 27.4 1.0
HG21 A:VAL72 4.3 29.9 1.0
CD2 A:HIS205 4.3 24.9 1.0
O A:HOH516 4.3 35.2 1.0
HG3 A:GLU167 4.3 34.9 1.0
HG2 A:GLU202 4.4 31.5 1.0
CG A:GLU102 4.4 19.4 1.0
O A:HOH509 4.4 44.2 1.0
HG3 A:GLU202 4.4 31.5 1.0
HG2 A:GLU102 4.5 23.2 1.0
CB A:GLU167 4.6 30.6 1.0
HB3 A:GLU202 4.6 33.7 1.0
HG3 A:GLU102 4.7 23.2 1.0
CD2 A:PHE98 4.7 22.4 1.0
CB A:GLU202 4.7 28.1 1.0
CA A:GLU202 4.8 25.3 1.0
CE1 A:PHE98 4.9 27.3 1.0
CE2 A:TYR162 4.9 28.0 1.0
CE1 A:HIS105 4.9 22.8 1.0
HB A:VAL72 4.9 30.6 1.0
HE2 A:HIS205 5.0 31.6 1.0
ND1 A:HIS105 5.0 22.2 1.0

Reference:

Y.Kutin, R.Kositzki, R.M.M.Branca, V.Srinivas, D.Lundin, M.Haumann, M.Hogbom, N.Cox, J.J.Griese. Chemical Flexibility of Heterobimetallic Mn/Fe Cofactors: R2LOX and R2C Proteins. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31591267
DOI: 10.1074/JBC.RA119.010570
Page generated: Sun Oct 6 04:52:56 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy