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Magnesium in PDB 1gq9: The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K

Enzymatic activity of The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K

All present enzymatic activity of The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K:
2.7.7.38;

Protein crystallography data

The structure of The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K, PDB code: 1gq9 was solved by S.Jelakovic, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29 / 2.6
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.671, 132.349, 47.908, 90.00, 102.37, 90.00
R / Rfree (%) 23.3 / 28.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K (pdb code 1gq9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K, PDB code: 1gq9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1gq9

Go back to Magnesium Binding Sites List in 1gq9
Magnesium binding site 1 out of 2 in the The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1242

b:12.5
occ:1.00
O2A A:CTP1243 2.2 57.0 1.0
OD2 A:ASP98 2.5 19.9 1.0
OD1 A:ASP225 2.7 50.9 1.0
CG A:ASP98 3.0 16.1 1.0
OD1 A:ASP98 3.2 21.1 1.0
O A:HOH2079 3.2 11.9 1.0
O A:HOH2084 3.3 11.9 1.0
PA A:CTP1243 3.4 50.1 1.0
C5' A:CTP1243 3.5 37.9 1.0
CG A:ASP225 3.5 50.3 1.0
OD2 A:ASP225 3.5 48.7 1.0
O3A A:CTP1243 3.8 54.9 1.0
O5' A:CTP1243 3.9 45.0 1.0
NZ A:LYS19 4.0 27.6 1.0
CB A:ASP98 4.1 13.0 1.0
O3G A:CTP1243 4.1 55.8 1.0
O1A A:CTP1243 4.6 56.5 1.0
O A:HOH2003 4.9 10.0 1.0
C4' A:CTP1243 4.9 35.2 1.0
CB A:ASP225 4.9 48.4 1.0
CE A:LYS19 5.0 31.9 1.0
NH2 A:ARG15 5.0 53.8 1.0

Magnesium binding site 2 out of 2 in 1gq9

Go back to Magnesium Binding Sites List in 1gq9
Magnesium binding site 2 out of 2 in the The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase Complexed with Ctp at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1242

b:10.0
occ:1.00
O B:HOH2101 1.9 12.3 1.0
O3A B:CTP1243 2.2 31.4 1.0
OD2 B:ASP98 2.4 10.0 1.0
OD1 B:ASP225 2.5 28.6 1.0
PB B:CTP1243 3.2 29.1 1.0
O B:HOH2092 3.3 11.0 1.0
O B:HOH2032 3.3 23.1 1.0
PA B:CTP1243 3.4 26.2 1.0
O2A B:CTP1243 3.4 24.7 1.0
O3B B:CTP1243 3.4 29.4 1.0
CG B:ASP98 3.6 10.0 1.0
NZ B:LYS19 3.7 10.0 1.0
O2B B:CTP1243 3.7 29.7 1.0
CG B:ASP225 3.8 30.1 1.0
O5' B:CTP1243 4.2 16.1 1.0
C5' B:CTP1243 4.3 13.5 1.0
OD1 B:ASP98 4.3 10.0 1.0
O1A B:CTP1243 4.5 28.4 1.0
O1B B:CTP1243 4.6 26.6 1.0
OD2 B:ASP225 4.6 32.7 1.0
CB B:ASP98 4.6 16.9 1.0
CB B:ASP225 4.6 19.2 1.0
O B:VAL224 4.7 22.5 1.0
PG B:CTP1243 4.7 30.0 1.0
O2G B:CTP1243 4.8 32.9 1.0
CA B:ASP225 4.9 19.0 1.0

Reference:

S.Jelakovic, G.E.Schulz. Catalytic Mechanism of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase As Derived From Complexes with Reaction Educt and Product. Biochemistry V. 41 1174 2002.
ISSN: ISSN 0006-2960
PubMed: 11802716
DOI: 10.1021/BI0119060
Page generated: Tue Aug 13 03:49:54 2024

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