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Magnesium in PDB 8qmv: L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos

Enzymatic activity of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos

All present enzymatic activity of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos:
4.1.1.39;

Protein crystallography data

The structure of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos, PDB code: 8qmv was solved by J.Zarzycki, L.Schulz, T.J.Erb, G.K.A.Hochberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.97 / 1.85
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 121.79, 203.8, 147.37, 90, 90, 90
R / Rfree (%) 16.1 / 17.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos (pdb code 8qmv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos, PDB code: 8qmv:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8qmv

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Magnesium binding site 1 out of 4 in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:23.2
occ:1.00
OD1 A:ASP189 2.0 21.9 1.0
OQ2 A:KCX187 2.0 20.8 1.0
O6 A:CAP501 2.1 20.2 1.0
OE1 A:GLU190 2.1 21.2 1.0
O3 A:CAP501 2.2 20.7 1.0
O2 A:CAP501 2.3 21.7 1.0
C A:CAP501 2.8 21.9 1.0
C2 A:CAP501 2.9 20.8 1.0
CX A:KCX187 3.0 21.5 1.0
C3 A:CAP501 3.1 19.4 1.0
CD A:GLU190 3.1 21.6 1.0
CG A:ASP189 3.2 21.3 1.0
OQ1 A:KCX187 3.4 21.3 1.0
OE2 A:GLU190 3.6 21.0 1.0
NZ A:LYS163 3.7 21.0 1.0
ND2 B:ASN109 3.8 20.8 1.0
N A:GLU190 3.8 20.4 1.0
CG2 A:THR159 3.9 20.2 1.0
OD2 A:ASP189 3.9 21.0 1.0
NZ A:LYS161 4.0 21.1 1.0
O7 A:CAP501 4.0 21.5 1.0
CA A:ASP189 4.0 19.4 1.0
NE2 A:HIS280 4.1 20.6 1.0
CB A:ASP189 4.1 20.6 1.0
NZ A:KCX187 4.2 19.4 1.0
OG1 A:THR159 4.3 21.4 1.0
C4 A:CAP501 4.3 20.6 1.0
C1 A:CAP501 4.3 20.6 1.0
CG A:GLU190 4.4 20.2 1.0
C A:ASP189 4.5 19.7 1.0
CB A:THR159 4.6 23.2 1.0
CB A:GLU190 4.6 19.8 1.0
O1 A:CAP501 4.7 21.5 1.0
CD2 A:HIS280 4.7 19.1 1.0
C5 A:CAP501 4.8 19.3 1.0
CA A:GLU190 4.9 20.5 1.0
O B:HOH681 4.9 21.8 1.0
CE1 A:HIS280 4.9 19.8 1.0
CG B:ASN109 5.0 23.1 1.0

Magnesium binding site 2 out of 4 in 8qmv

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Magnesium binding site 2 out of 4 in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:23.2
occ:1.00
OD1 B:ASP189 2.0 21.2 1.0
OQ1 B:KCX187 2.0 20.4 1.0
OE1 B:GLU190 2.1 22.5 1.0
O6 B:CAP501 2.1 22.2 1.0
O3 B:CAP501 2.2 22.4 1.0
O2 B:CAP501 2.3 20.7 1.0
C2 B:CAP501 2.8 22.1 1.0
C B:CAP501 2.9 23.8 1.0
CX B:KCX187 3.0 22.7 1.0
C3 B:CAP501 3.0 21.6 1.0
CD B:GLU190 3.1 23.7 1.0
CG B:ASP189 3.2 23.0 1.0
OQ2 B:KCX187 3.3 22.3 1.0
OE2 B:GLU190 3.6 24.1 1.0
ND2 A:ASN109 3.8 22.2 1.0
NZ B:LYS163 3.8 21.6 1.0
N B:GLU190 3.8 20.8 1.0
NZ B:LYS161 3.9 20.5 1.0
OD2 B:ASP189 3.9 23.6 1.0
CG2 B:THR159 4.0 22.5 1.0
NE2 B:HIS280 4.0 20.3 1.0
CA B:ASP189 4.1 21.8 1.0
O7 B:CAP501 4.1 24.0 1.0
CB B:ASP189 4.1 21.8 1.0
NZ B:KCX187 4.2 20.9 1.0
OG1 B:THR159 4.3 22.4 1.0
C4 B:CAP501 4.3 23.1 1.0
C1 B:CAP501 4.3 23.0 1.0
CG B:GLU190 4.4 20.2 1.0
C B:ASP189 4.5 21.1 1.0
CB B:GLU190 4.6 20.1 1.0
CB B:THR159 4.6 22.2 1.0
CD2 B:HIS280 4.7 20.1 1.0
O1 B:CAP501 4.7 23.2 1.0
C5 B:CAP501 4.8 23.3 1.0
CA B:GLU190 4.8 19.5 1.0
CE1 B:HIS280 4.9 22.7 1.0
CG A:ASN109 5.0 23.2 1.0
O A:HOH659 5.0 25.5 1.0

Magnesium binding site 3 out of 4 in 8qmv

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Magnesium binding site 3 out of 4 in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:25.5
occ:1.00
OE1 C:GLU190 2.0 24.5 1.0
OD1 C:ASP189 2.1 26.5 1.0
O6 C:CAP501 2.1 25.8 1.0
OQ1 C:KCX187 2.1 23.9 1.0
O3 C:CAP501 2.2 23.5 1.0
O2 C:CAP501 2.3 24.6 1.0
C C:CAP501 2.8 25.8 1.0
C2 C:CAP501 2.8 23.7 1.0
C3 C:CAP501 3.0 23.8 1.0
CX C:KCX187 3.0 25.2 1.0
CD C:GLU190 3.1 24.2 1.0
CG C:ASP189 3.3 26.7 1.0
OQ2 C:KCX187 3.3 25.9 1.0
OE2 C:GLU190 3.5 24.1 1.0
ND2 D:ASN109 3.7 24.4 1.0
NZ C:LYS163 3.8 27.1 1.0
N C:GLU190 3.8 23.1 1.0
NE2 C:HIS280 4.0 22.0 1.0
NZ C:LYS161 4.0 26.4 1.0
O7 C:CAP501 4.0 25.3 1.0
OD2 C:ASP189 4.1 26.6 1.0
CG2 C:THR159 4.1 24.6 1.0
CA C:ASP189 4.1 23.8 1.0
CB C:ASP189 4.2 22.8 1.0
NZ C:KCX187 4.2 23.1 1.0
C4 C:CAP501 4.3 23.6 1.0
OG1 C:THR159 4.3 25.6 1.0
C1 C:CAP501 4.3 23.9 1.0
CG C:GLU190 4.4 21.5 1.0
C C:ASP189 4.5 23.7 1.0
CB C:GLU190 4.6 22.0 1.0
CD2 C:HIS280 4.6 23.9 1.0
CB C:THR159 4.7 24.6 1.0
O1 C:CAP501 4.7 23.7 1.0
C5 C:CAP501 4.7 23.0 1.0
CA C:GLU190 4.8 22.6 1.0
O D:HOH697 4.9 26.6 1.0
CE1 C:HIS280 4.9 23.4 1.0
CG D:ASN109 4.9 27.3 1.0

Magnesium binding site 4 out of 4 in 8qmv

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Magnesium binding site 4 out of 4 in the L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of L2 Forming Rubisco Derived From Ancestral Sequence Reconstruction of the Last Common Ancestor of Form I'' and Form I Rubiscos within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:23.1
occ:1.00
OE1 D:GLU190 2.0 23.0 1.0
OD1 D:ASP189 2.0 23.9 1.0
O6 D:CAP501 2.1 21.0 1.0
OQ2 D:KCX187 2.1 22.2 1.0
O3 D:CAP501 2.2 20.9 1.0
O2 D:CAP501 2.3 22.4 1.0
C D:CAP501 2.8 23.2 1.0
C2 D:CAP501 2.8 22.7 1.0
C3 D:CAP501 3.0 22.0 1.0
CD D:GLU190 3.0 23.2 1.0
CX D:KCX187 3.1 23.1 1.0
CG D:ASP189 3.2 24.1 1.0
OQ1 D:KCX187 3.4 24.4 1.0
OE2 D:GLU190 3.5 22.3 1.0
ND2 C:ASN109 3.7 21.5 1.0
NZ D:LYS163 3.7 23.4 1.0
N D:GLU190 3.8 20.1 1.0
OD2 D:ASP189 4.0 24.6 1.0
NZ D:LYS161 4.0 21.1 1.0
CG2 D:THR159 4.0 21.4 1.0
NE2 D:HIS280 4.0 21.4 1.0
O7 D:CAP501 4.0 21.3 1.0
CA D:ASP189 4.1 21.5 1.0
CB D:ASP189 4.1 22.4 1.0
NZ D:KCX187 4.3 21.1 1.0
C4 D:CAP501 4.3 22.3 1.0
CG D:GLU190 4.3 21.1 1.0
OG1 D:THR159 4.3 22.0 1.0
C1 D:CAP501 4.3 24.9 1.0
C D:ASP189 4.5 21.6 1.0
CB D:GLU190 4.5 19.7 1.0
CD2 D:HIS280 4.7 20.2 1.0
CB D:THR159 4.7 21.4 1.0
C5 D:CAP501 4.7 21.0 1.0
O1 D:CAP501 4.7 23.5 1.0
CA D:GLU190 4.8 20.7 1.0
CG C:ASN109 4.9 23.1 1.0
O C:HOH667 4.9 25.7 1.0
CE1 D:HIS280 4.9 20.1 1.0

Reference:

L.Schulz, J.Zarzycki, W.Steinchen, G.K.A.Hochberg, T.J.Erb. Layered Entrenchment Maintains Essentiality in the Evolution of Form I Rubisco Complexes Biorxiv 2024.
ISSN: ISSN 2692-8205
DOI: 10.1101/2024.01.18.576253
Page generated: Thu Oct 31 21:59:11 2024

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