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Magnesium in PDB 1esn: Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A

Enzymatic activity of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A

All present enzymatic activity of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A:
2.7.1.33;

Protein crystallography data

The structure of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A, PDB code: 1esn was solved by M.Yun, C.G.Park, J.Y.Kim, C.O.Rock, S.Jackowski, H.W.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 130.080, 130.080, 281.750, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 26

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A (pdb code 1esn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A, PDB code: 1esn:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1esn

Go back to Magnesium Binding Sites List in 1esn
Magnesium binding site 1 out of 4 in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:32.5
occ:1.00
 OG A:SER102 2.4 29.9 1.0
O2G A:ANP401 2.4 39.1 1.0
O2B A:ANP401 2.5 31.1 1.0
OE2 A:GLU199 2.7 50.4 1.0
CB A:SER102 3.2 35.2 1.0
PG A:ANP401 3.4 41.2 1.0
N3B A:ANP401 3.4 38.6 1.0
PB A:ANP401 3.5 34.0 1.0
CD A:GLU199 3.9 49.3 1.0
O1G A:ANP401 3.9 41.9 1.0
N A:SER102 4.1 34.3 1.0
CA A:SER102 4.2 33.2 1.0
O2A A:ANP401 4.3 38.4 1.0
O1B A:ANP401 4.5 35.1 1.0
OE1 A:GLU199 4.5 41.5 1.0
OD2 A:ASP127 4.6 44.2 1.0
O3A A:ANP401 4.6 34.9 1.0
O3G A:ANP401 4.7 36.0 1.0
CE A:LYS101 4.8 23.8 1.0
PA A:ANP401 4.9 39.1 1.0

Magnesium binding site 2 out of 4 in 1esn

Go back to Magnesium Binding Sites List in 1esn
Magnesium binding site 2 out of 4 in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:27.6
occ:1.00
 OG B:SER102 2.2 43.2 1.0
O2G B:ANP402 2.3 44.2 1.0
O2B B:ANP402 2.4 32.2 1.0
OE2 B:GLU199 3.1 52.3 1.0
PG B:ANP402 3.3 32.3 1.0
CB B:SER102 3.3 31.6 1.0
N3B B:ANP402 3.4 32.4 1.0
PB B:ANP402 3.5 38.8 1.0
O1G B:ANP402 3.9 35.9 1.0
CD B:GLU199 4.1 48.9 1.0
O2A B:ANP402 4.2 36.5 1.0
N B:SER102 4.3 29.1 1.0
CA B:SER102 4.3 31.2 1.0
O B:HOH5077 4.3 33.0 1.0
OE1 B:GLU199 4.4 47.8 1.0
O1B B:ANP402 4.5 30.2 1.0
O3A B:ANP402 4.6 31.3 1.0
O3G B:ANP402 4.6 40.7 1.0
OD2 B:ASP127 4.7 39.9 1.0
PA B:ANP402 4.8 35.3 1.0

Magnesium binding site 3 out of 4 in 1esn

Go back to Magnesium Binding Sites List in 1esn
Magnesium binding site 3 out of 4 in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg503

b:33.2
occ:1.00
 OG C:SER102 2.1 35.2 1.0
O2G C:ANP403 2.4 40.6 1.0
O2B C:ANP403 2.5 35.1 1.0
OE2 C:GLU199 3.2 52.8 1.0
PG C:ANP403 3.3 31.8 1.0
O C:HOH5064 3.3 50.5 1.0
CB C:SER102 3.3 36.9 1.0
N3B C:ANP403 3.4 29.3 1.0
PB C:ANP403 3.6 40.4 1.0
O1G C:ANP403 3.8 33.4 1.0
O2A C:ANP403 4.1 30.9 1.0
CD C:GLU199 4.3 45.2 1.0
N C:SER102 4.3 30.3 1.0
CA C:SER102 4.4 34.6 1.0
O3A C:ANP403 4.6 35.8 1.0
O1B C:ANP403 4.6 40.9 1.0
O3G C:ANP403 4.6 38.5 1.0
CE1 C:HIS177 4.7 74.9 1.0
OE1 C:GLU199 4.8 38.9 1.0
OD2 C:ASP127 4.8 48.3 1.0
PA C:ANP403 4.8 40.8 1.0
NE2 C:HIS177 4.9 77.8 1.0

Magnesium binding site 4 out of 4 in 1esn

Go back to Magnesium Binding Sites List in 1esn
Magnesium binding site 4 out of 4 in the Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg504

b:30.7
occ:1.00
 OG D:SER102 2.3 35.9 1.0
O2G D:ANP404 2.4 42.3 1.0
O2B D:ANP404 2.5 33.6 1.0
OE2 D:GLU199 3.0 44.6 1.0
O D:HOH5306 3.3 57.0 1.0
PG D:ANP404 3.4 39.6 1.0
CB D:SER102 3.4 34.5 1.0
N3B D:ANP404 3.4 42.2 1.0
PB D:ANP404 3.6 39.3 1.0
O1G D:ANP404 3.9 43.6 1.0
CD D:GLU199 4.2 41.0 1.0
N D:SER102 4.3 33.9 1.0
O2A D:ANP404 4.3 35.1 1.0
CA D:SER102 4.4 32.7 1.0
OD2 D:ASP127 4.4 46.2 1.0
O1B D:ANP404 4.5 40.6 1.0
NE2 D:HIS177 4.6 70.2 1.0
O3A D:ANP404 4.7 32.4 1.0
O3G D:ANP404 4.7 41.6 1.0
OE1 D:GLU199 4.7 34.4 1.0
NZ D:LYS101 4.9 25.7 1.0
PA D:ANP404 4.9 40.6 1.0

Reference:

M.Yun, C.G.Park, J.Y.Kim, C.O.Rock, S.Jackowski, H.W.Park. Structural Basis For the Feedback Regulation of Escherichia Coli Pantothenate Kinase By Coenzyme A. J.Biol.Chem. V. 275 28093 2000.
ISSN: ISSN 0021-9258
PubMed: 10862768
Page generated: Tue Aug 13 03:01:50 2024

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