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Magnesium in PDB 3r25: Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site

Protein crystallography data

The structure of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site, PDB code: 3r25 was solved by A.A.Fedorov, E.V.Fedorov, D.Wichelecki, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.04 / 1.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 167.986, 211.516, 211.672, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site (pdb code 3r25). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site, PDB code: 3r25:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 3r25

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Magnesium binding site 1 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


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 Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:26.9
occ:1.00
OD2 A:ASP207 2.2 25.7 1.0
O A:HOH405 2.2 26.3 1.0
OE2 A:GLU233 2.2 23.9 1.0
O A:HOH408 2.2 24.7 1.0
OE1 A:GLU259 2.3 25.9 1.0
O A:HOH406 2.4 24.5 1.0
CD A:GLU233 3.0 25.1 1.0
CD A:GLU259 3.1 25.7 1.0
CG A:ASP207 3.2 24.1 1.0
OE2 A:GLU259 3.2 25.1 1.0
O A:HOH407 3.5 29.9 1.0
OE1 A:GLU233 3.6 26.9 1.0
OD1 A:ASP207 3.6 22.9 1.0
NH1 A:ARG280 3.9 25.1 1.0
O A:HOH409 3.9 27.7 1.0
CG A:GLU233 4.0 22.0 1.0
CD2 A:HIS209 4.2 26.6 1.0
NE2 A:HIS309 4.2 24.3 1.0
O A:HOH446 4.2 24.0 1.0
NH1 A:ARG153 4.2 28.8 1.0
CD2 A:HIS309 4.3 23.9 1.0
CB A:ASP207 4.5 24.3 1.0
CG A:GLU259 4.5 23.7 1.0
NE2 A:HIS209 4.6 26.4 1.0
OD2 A:ASP234 4.8 27.9 1.0
CZ A:ARG280 4.9 23.3 1.0
NE A:ARG280 4.9 23.9 1.0

Magnesium binding site 2 out of 10 in 3r25

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Magnesium binding site 2 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


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 Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:22.0
occ:1.00
O B:HOH407 2.1 20.4 1.0
OE2 B:GLU233 2.2 24.2 1.0
OD2 B:ASP207 2.2 21.2 1.0
OE1 B:GLU259 2.2 21.7 1.0
O B:HOH1802 2.3 22.5 1.0
O B:HOH408 2.3 23.7 1.0
CD B:GLU259 3.0 23.5 1.0
CD B:GLU233 3.1 23.9 1.0
OE2 B:GLU259 3.1 22.9 1.0
CG B:ASP207 3.2 22.8 1.0
O B:HOH1803 3.6 24.8 1.0
OD1 B:ASP207 3.7 19.9 1.0
OE1 B:GLU233 3.8 25.1 1.0
O B:HOH477 4.0 24.8 1.0
CG B:GLU233 4.1 21.7 1.0
NH1 B:ARG280 4.1 21.5 1.0
O B:HOH417 4.2 23.6 1.0
NH2 B:ARG153 4.2 24.9 1.0
NE2 B:HIS309 4.3 21.8 1.0
CD2 B:HIS209 4.3 23.1 1.0
CG B:GLU259 4.4 22.5 1.0
CD2 B:HIS309 4.5 20.0 1.0
CB B:ASP207 4.5 21.7 1.0
NE2 B:HIS209 4.8 23.0 1.0
CB B:GLU259 4.9 19.9 1.0
OD2 B:ASP234 4.9 27.6 1.0
OH A:TYR81 5.0 23.0 1.0
C1 B:GOL404 5.0 25.5 1.0

Magnesium binding site 3 out of 10 in 3r25

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Magnesium binding site 3 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


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 Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:39.5
occ:1.00
O B:HOH1473 2.4 37.8 1.0
O B:HOH1542 2.5 32.8 1.0
NZ B:LYS346 3.4 48.8 1.0
CE B:LYS346 3.5 44.3 1.0
O B:HOH995 4.2 39.4 1.0
OE2 B:GLU378 4.3 30.9 1.0
OE2 B:GLU374 4.5 34.9 1.0
OE1 B:GLU378 4.5 36.0 1.0
CD B:GLU378 4.8 35.5 1.0
CD B:LYS346 5.0 37.6 1.0

Magnesium binding site 4 out of 10 in 3r25

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Magnesium binding site 4 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg402

b:24.1
occ:1.00
O C:HOH404 2.2 24.6 1.0
OE2 C:GLU233 2.2 27.0 1.0
OD2 C:ASP207 2.2 25.2 1.0
OE1 C:GLU259 2.2 23.6 1.0
O C:HOH405 2.2 25.5 1.0
O C:HOH407 2.4 23.9 1.0
CD C:GLU259 3.0 25.8 1.0
CD C:GLU233 3.1 26.5 1.0
CG C:ASP207 3.2 25.1 1.0
OE2 C:GLU259 3.2 24.5 1.0
OD1 C:ASP207 3.5 25.1 1.0
O C:HOH406 3.5 27.6 1.0
OE1 C:GLU233 3.6 27.2 1.0
CG C:GLU233 4.0 23.9 1.0
NH1 C:ARG280 4.1 24.4 1.0
CD2 C:HIS209 4.2 24.8 1.0
O C:HOH424 4.2 27.8 1.0
NH1 C:ARG153 4.2 30.2 1.0
O C:HOH449 4.2 25.1 1.0
NE2 C:HIS309 4.3 26.7 1.0
CG C:GLU259 4.4 26.0 1.0
CB C:ASP207 4.5 23.1 1.0
CD2 C:HIS309 4.5 25.9 1.0
NE2 C:HIS209 4.7 25.8 1.0
OD2 C:ASP234 4.8 31.1 1.0
CB C:GLU259 4.9 25.1 1.0
OH D:TYR81 5.0 25.8 1.0

Magnesium binding site 5 out of 10 in 3r25

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Magnesium binding site 5 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:24.3
occ:1.00
OD2 D:ASP207 2.1 24.7 1.0
OE2 D:GLU233 2.2 24.1 1.0
OE1 D:GLU259 2.2 22.3 1.0
O D:HOH405 2.2 24.3 1.0
O D:HOH406 2.3 22.8 1.0
O D:HOH408 2.3 25.8 1.0
CD D:GLU233 3.0 26.7 1.0
CD D:GLU259 3.0 24.2 1.0
CG D:ASP207 3.1 23.0 1.0
OE2 D:GLU259 3.3 22.4 1.0
OD1 D:ASP207 3.5 21.4 1.0
OE1 D:GLU233 3.6 25.4 1.0
O D:HOH407 3.6 24.7 1.0
NH1 D:ARG280 3.9 23.6 1.0
CG D:GLU233 3.9 22.0 1.0
O D:HOH454 4.1 22.7 1.0
O D:HOH440 4.2 25.1 1.0
CD2 D:HIS209 4.3 24.8 1.0
NE2 D:HIS309 4.4 26.3 1.0
NH1 D:ARG153 4.4 26.6 1.0
CG D:GLU259 4.4 20.7 1.0
CB D:ASP207 4.4 20.6 1.0
CD2 D:HIS309 4.6 22.4 1.0
CZ D:ARG280 4.9 23.7 1.0
CB D:GLU259 4.9 21.4 1.0
NE2 D:HIS209 4.9 25.2 1.0
OD2 D:ASP234 4.9 27.1 1.0
NE D:ARG280 5.0 23.0 1.0

Magnesium binding site 6 out of 10 in 3r25

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Magnesium binding site 6 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg403

b:46.1
occ:1.00
O D:HOH1874 2.6 44.1 1.0
O D:HOH1632 2.7 41.8 1.0
O D:HOH756 2.7 37.5 1.0
CE D:LYS346 3.7 43.0 1.0
NZ D:LYS346 3.7 48.6 1.0
OE2 D:GLU378 4.2 35.6 1.0
OE2 D:GLU374 4.6 40.4 1.0
OE1 D:GLU378 4.7 35.4 1.0
CD D:GLU378 4.8 34.8 1.0
CD D:LYS346 4.9 41.9 1.0

Magnesium binding site 7 out of 10 in 3r25

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Magnesium binding site 7 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg402

b:25.2
occ:1.00
O E:HOH405 2.1 26.6 1.0
OD2 E:ASP207 2.2 24.6 1.0
OE1 E:GLU259 2.2 21.9 1.0
O E:HOH407 2.2 23.7 1.0
OE2 E:GLU233 2.3 26.9 1.0
O E:HOH410 2.3 26.2 1.0
CD E:GLU259 3.0 24.4 1.0
CD E:GLU233 3.1 28.2 1.0
CG E:ASP207 3.1 25.5 1.0
OE2 E:GLU259 3.2 22.6 1.0
OD1 E:ASP207 3.5 24.7 1.0
O E:HOH408 3.6 25.4 1.0
OE1 E:GLU233 3.8 27.4 1.0
NH1 E:ARG153 3.9 30.8 1.0
NH1 E:ARG280 4.0 23.6 1.0
CG E:GLU233 4.0 22.7 1.0
CD2 E:HIS209 4.1 26.4 1.0
O E:HOH420 4.1 24.5 1.0
O E:HOH411 4.1 26.6 1.0
CG E:GLU259 4.3 23.5 1.0
CB E:ASP207 4.5 24.1 1.0
NE2 E:HIS309 4.5 26.2 1.0
NE2 E:HIS209 4.5 25.9 1.0
CD2 E:HIS309 4.7 24.9 1.0
OD2 E:ASP234 4.7 29.5 1.0
OH E:TYR159 4.8 38.3 1.0
CB E:GLU259 4.9 21.6 1.0
CZ E:ARG280 5.0 23.5 1.0
NE E:ARG280 5.0 24.6 1.0
OH F:TYR81 5.0 25.9 1.0

Magnesium binding site 8 out of 10 in 3r25

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Magnesium binding site 8 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg402

b:23.9
occ:1.00
O F:HOH404 2.1 19.8 1.0
OD2 F:ASP207 2.1 24.8 1.0
OE1 F:GLU259 2.2 24.5 1.0
O F:HOH405 2.2 25.5 1.0
OE2 F:GLU233 2.3 25.4 1.0
O F:HOH407 2.3 23.5 1.0
CD F:GLU259 3.0 23.7 1.0
CD F:GLU233 3.1 26.8 1.0
CG F:ASP207 3.2 22.3 1.0
OE2 F:GLU259 3.3 24.4 1.0
O F:HOH406 3.4 23.9 1.0
OD1 F:ASP207 3.5 22.8 1.0
OE1 F:GLU233 3.7 27.0 1.0
NH1 F:ARG280 4.0 25.1 1.0
O F:HOH416 4.0 25.6 1.0
CG F:GLU233 4.1 23.4 1.0
O F:HOH439 4.2 23.4 1.0
NH1 F:ARG153 4.2 27.5 1.0
CD2 F:HIS209 4.2 24.6 1.0
NE2 F:HIS309 4.3 23.7 1.0
CG F:GLU259 4.3 23.0 1.0
CD2 F:HIS309 4.4 23.8 1.0
CB F:ASP207 4.4 21.7 1.0
OD2 F:ASP234 4.7 28.2 1.0
NE2 F:HIS209 4.8 25.9 1.0
CB F:GLU259 4.9 25.5 1.0
CG F:ASP234 4.9 26.9 1.0
OH E:TYR81 5.0 26.3 1.0
CZ F:ARG280 5.0 23.6 1.0

Magnesium binding site 9 out of 10 in 3r25

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Magnesium binding site 9 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg402

b:27.2
occ:1.00
OD2 G:ASP207 2.1 26.8 1.0
OE1 G:GLU259 2.2 25.1 1.0
OE2 G:GLU233 2.2 27.5 1.0
O G:HOH405 2.3 22.9 1.0
O G:HOH404 2.3 26.4 1.0
O G:HOH1804 2.4 26.8 1.0
CD G:GLU233 3.0 28.2 1.0
CD G:GLU259 3.1 25.3 1.0
CG G:ASP207 3.2 27.0 1.0
OE2 G:GLU259 3.2 23.4 1.0
OE1 G:GLU233 3.4 29.1 1.0
O G:HOH1805 3.5 28.5 1.0
OD1 G:ASP207 3.7 26.1 1.0
O G:HOH423 4.0 30.1 1.0
CG G:GLU233 4.0 24.3 1.0
NH1 G:ARG280 4.1 25.9 1.0
O G:HOH422 4.2 25.9 1.0
NE2 G:HIS309 4.2 24.2 1.0
CD2 G:HIS209 4.2 29.8 1.0
NH1 G:ARG153 4.3 29.9 1.0
CG G:GLU259 4.4 24.6 1.0
CD2 G:HIS309 4.5 25.4 1.0
CB G:ASP207 4.5 22.9 1.0
NE2 G:HIS209 4.7 30.2 1.0
OD2 G:ASP234 4.8 26.4 1.0
CB G:GLU259 4.9 23.0 1.0
NE G:ARG280 5.0 25.9 1.0

Magnesium binding site 10 out of 10 in 3r25

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Magnesium binding site 10 out of 10 in the Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg402

b:24.9
occ:1.00
OD2 H:ASP207 2.2 25.4 1.0
OE2 H:GLU233 2.2 27.6 1.0
OE1 H:GLU259 2.3 25.6 1.0
O H:HOH406 2.3 23.1 1.0
O H:HOH405 2.3 26.3 1.0
O H:HOH408 2.3 26.8 1.0
CD H:GLU233 3.0 26.9 1.0
CD H:GLU259 3.1 26.4 1.0
CG H:ASP207 3.2 24.3 1.0
OE2 H:GLU259 3.3 25.4 1.0
OE1 H:GLU233 3.5 27.2 1.0
OD1 H:ASP207 3.6 25.0 1.0
O H:HOH407 3.6 26.1 1.0
NH1 H:ARG280 4.0 24.7 1.0
CG H:GLU233 4.0 25.5 1.0
O H:HOH418 4.1 25.4 1.0
O H:HOH1040 4.2 25.3 1.0
NH1 H:ARG153 4.2 26.4 1.0
NE2 H:HIS309 4.3 26.5 1.0
CD2 H:HIS209 4.3 26.6 1.0
CD2 H:HIS309 4.4 25.8 1.0
CG H:GLU259 4.4 24.0 1.0
CB H:ASP207 4.5 24.7 1.0
NE2 H:HIS209 4.8 27.3 1.0
OD2 H:ASP234 4.9 27.7 1.0
CB H:GLU259 4.9 22.9 1.0
CZ H:ARG280 5.0 23.1 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, D.Wichelecki, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase Superfamily Member From Vibrionales Bacterium Complexed with Mg and Glycerol in the Active Site To Be Published.
Page generated: Mon Aug 11 02:34:16 2025

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