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Magnesium in PDB 6ggk: Crystal Structure of COTB2 C-Terminal Truncation

Enzymatic activity of Crystal Structure of COTB2 C-Terminal Truncation

All present enzymatic activity of Crystal Structure of COTB2 C-Terminal Truncation:
4.2.3.146;

Protein crystallography data

The structure of Crystal Structure of COTB2 C-Terminal Truncation, PDB code: 6ggk was solved by R.Driller, S.Janke, M.Fuchs, E.Warner, A.R.Mhashal, D.T.Major, M.Christmann, T.Brueck, B.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.86 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.010, 99.714, 107.718, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 24.1

Other elements in 6ggk:

The structure of Crystal Structure of COTB2 C-Terminal Truncation also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of COTB2 C-Terminal Truncation (pdb code 6ggk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of COTB2 C-Terminal Truncation, PDB code: 6ggk:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6ggk

Go back to Magnesium Binding Sites List in 6ggk
Magnesium binding site 1 out of 3 in the Crystal Structure of COTB2 C-Terminal Truncation


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 COTB2 C-Terminal Truncation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:39.4
occ:1.00
O A:HOH483 2.1 33.0 1.0
OE1 A:GLU228 2.2 37.4 1.0
O A:HOH423 2.2 29.2 1.0
O A:HOH479 2.3 37.9 1.0
OD1 A:ASN220 2.3 31.4 1.0
OG A:SER224 2.4 35.5 1.0
CD A:GLU228 3.2 37.4 1.0
CG A:ASN220 3.3 26.5 1.0
CB A:SER224 3.3 30.9 1.0
ND2 A:ASN220 3.6 27.5 1.0
OE2 A:GLU228 3.7 33.6 1.0
O A:ASN220 4.0 27.3 1.0
NH2 A:ARG177 4.3 28.6 1.0
CG A:GLU228 4.4 31.6 1.0
C A:ASN220 4.5 25.2 1.0
OD1 A:ASP221 4.6 27.4 1.0
CB A:ASN220 4.7 25.4 1.0
CA A:SER224 4.7 28.0 1.0

Magnesium binding site 2 out of 3 in 6ggk

Go back to Magnesium Binding Sites List in 6ggk
Magnesium binding site 2 out of 3 in the Crystal Structure of COTB2 C-Terminal Truncation


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 COTB2 C-Terminal Truncation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg301

b:36.2
occ:1.00
O B:HOH440 1.9 40.5 1.0
O B:HOH406 2.1 29.7 1.0
OD1 B:ASN220 2.2 32.7 1.0
O B:HOH476 2.3 40.8 1.0
OE2 B:GLU228 2.3 42.8 1.0
OG B:SER224 2.3 31.8 1.0
CD B:GLU228 3.1 37.1 1.0
CB B:SER224 3.3 31.8 1.0
OE1 B:GLU228 3.3 33.9 1.0
CG B:ASN220 3.4 28.9 1.0
O B:ASN220 3.9 30.1 1.0
ND2 B:ASN220 4.0 36.4 1.0
NH2 B:ARG177 4.1 26.3 1.0
OD1 B:ASP221 4.3 26.0 1.0
C B:ASN220 4.3 28.6 1.0
CG B:GLU228 4.4 33.9 1.0
CB B:ASN220 4.6 22.8 1.0
CA B:SER224 4.6 25.7 1.0
CA B:ASP221 4.7 23.4 1.0
N B:ASP221 4.7 21.0 1.0

Magnesium binding site 3 out of 3 in 6ggk

Go back to Magnesium Binding Sites List in 6ggk
Magnesium binding site 3 out of 3 in the Crystal Structure of COTB2 C-Terminal Truncation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of COTB2 C-Terminal Truncation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:49.1
occ:0.80
O B:HOH438 1.9 47.7 0.8
O B:HOH417 2.0 39.6 0.8
O B:HOH455 2.1 43.9 0.8
OD1 B:ASP110 2.4 48.1 1.0
OD1 B:ASP153 3.2 48.0 1.0
CG B:ASP110 3.3 51.7 1.0
OD2 B:ASP110 3.5 51.2 1.0
OD1 B:ASP180 4.0 31.2 1.0
CG B:ASP153 4.1 45.0 1.0
O B:ASP180 4.2 27.6 1.0
OD2 B:ASP180 4.5 35.1 1.0
CG B:ASP180 4.7 27.7 1.0
CB B:ASP110 4.7 49.1 1.0
OD2 B:ASP153 4.8 47.6 1.0
CZ B:PHE149 4.9 31.2 1.0
NH2 B:ARG157 4.9 52.6 1.0
CB B:ASP153 4.9 33.6 1.0

Reference:

R.Driller, S.Janke, M.Fuchs, E.Warner, A.R.Mhashal, D.T.Major, M.Christmann, T.Bruck, B.Loll. Towards A Comprehensive Understanding of the Structural Dynamics of A Bacterial Diterpene Synthase During Catalysis. Nat Commun V. 9 3971 2018.
ISSN: ESSN 2041-1723
PubMed: 30266969
DOI: 10.1038/S41467-018-06325-8
Page generated: Tue Oct 1 01:10:24 2024

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