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Magnesium in PDB 1wqa: Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+

Enzymatic activity of Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+

All present enzymatic activity of Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+:
5.4.2.8;

Protein crystallography data

The structure of Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+, PDB code: 1wqa was solved by T.Kawamura, M.Tsuge, N.Watanabe, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.653, 137.916, 98.409, 90.00, 93.27, 90.00
R / Rfree (%) 21.6 / 23.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+ (pdb code 1wqa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+, PDB code: 1wqa:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1wqa

Go back to Magnesium Binding Sites List in 1wqa
Magnesium binding site 1 out of 4 in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+


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 Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg456

b:32.1
occ:1.00
 OD1 A:ASP247 1.9 25.1 1.0
OD1 A:ASP243 2.0 22.9 1.0
OD2 A:ASP245 2.2 20.9 1.0
OG A:SER101 2.3 28.1 1.0
CG A:ASP247 2.9 24.7 1.0
CG A:ASP243 3.1 24.0 1.0
CG A:ASP245 3.1 19.9 1.0
OD2 A:ASP247 3.3 28.1 1.0
CB A:SER101 3.3 26.4 1.0
NH1 A:ARG248 3.4 53.2 1.0
OD1 A:ASP245 3.4 20.0 1.0
OD2 A:ASP243 3.6 20.7 1.0
CA A:SER101 4.1 25.9 1.0
CB A:ASP247 4.2 20.5 1.0
CB A:ASP243 4.3 21.0 1.0
N A:ASP247 4.4 20.3 1.0
C A:SER101 4.5 26.1 1.0
CG A:ARG248 4.5 38.8 1.0
CB A:ASP245 4.5 18.0 1.0
CZ A:ARG248 4.5 52.6 1.0
N A:ASP245 4.6 19.7 1.0
N A:HIS102 4.7 25.0 1.0
O A:HOH625 4.8 39.2 1.0
N A:ARG248 4.8 22.8 1.0
CA A:ASP247 4.9 21.0 1.0
CA A:ASP245 4.9 18.6 1.0

Magnesium binding site 2 out of 4 in 1wqa

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Magnesium binding site 2 out of 4 in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+


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 Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg456

b:28.4
occ:1.00
 OD1 B:ASP247 2.0 25.7 1.0
OD1 B:ASP243 2.0 22.5 1.0
OD2 B:ASP245 2.1 20.6 1.0
OG B:SER101 2.3 28.8 1.0
O B:HOH553 2.3 29.2 1.0
CG B:ASP247 2.9 24.2 1.0
CG B:ASP245 3.1 22.1 1.0
CG B:ASP243 3.1 21.3 1.0
OD2 B:ASP247 3.3 26.8 1.0
CB B:SER101 3.3 26.4 1.0
OD1 B:ASP245 3.4 20.4 1.0
OD2 B:ASP243 3.6 20.9 1.0
CA B:SER101 4.0 25.7 1.0
CB B:ASP247 4.2 20.4 1.0
CB B:ASP243 4.4 20.6 1.0
O B:HOH622 4.4 35.1 1.0
C B:SER101 4.4 25.6 1.0
N B:ASP247 4.5 19.3 1.0
CB B:ASP245 4.5 19.3 1.0
CG B:ARG248 4.5 31.8 1.0
N B:ASP245 4.6 17.8 1.0
N B:HIS102 4.7 25.2 1.0
N B:ARG248 4.8 20.8 1.0
CA B:ASP245 4.9 18.5 1.0
CA B:ASP247 4.9 19.3 1.0
N B:ALA246 4.9 17.2 1.0
C B:ASP245 5.0 17.3 1.0

Magnesium binding site 3 out of 4 in 1wqa

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Magnesium binding site 3 out of 4 in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+


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 Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg456

b:29.2
occ:1.00
 OD1 C:ASP247 2.0 22.8 1.0
OD2 C:ASP245 2.0 18.7 1.0
OD1 C:ASP243 2.0 20.8 1.0
OG C:SER101 2.2 23.7 1.0
O C:HOH580 2.4 25.1 1.0
CG C:ASP247 3.0 21.6 1.0
CG C:ASP245 3.0 20.7 1.0
CG C:ASP243 3.2 21.9 1.0
OD1 C:ASP245 3.3 19.6 1.0
CB C:SER101 3.4 23.8 1.0
OD2 C:ASP247 3.4 23.6 1.0
OD2 C:ASP243 3.7 19.9 1.0
CA C:SER101 4.0 24.2 1.0
CB C:ASP247 4.2 19.7 1.0
CB C:ASP243 4.4 20.6 1.0
C C:SER101 4.4 24.7 1.0
CB C:ASP245 4.4 18.6 1.0
N C:ASP247 4.4 18.3 1.0
CG C:ARG248 4.5 32.4 1.0
N C:ASP245 4.5 19.0 1.0
N C:HIS102 4.7 24.1 1.0
O C:HOH623 4.7 39.9 1.0
CA C:ASP245 4.8 17.4 1.0
CA C:ASP247 4.9 18.5 1.0
N C:ARG248 4.9 19.7 1.0
N C:ALA246 4.9 16.0 1.0
O C:SER101 4.9 26.0 1.0
C C:ASP245 4.9 17.8 1.0

Magnesium binding site 4 out of 4 in 1wqa

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Magnesium binding site 4 out of 4 in the Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+


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 Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase Complexed with MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg456

b:34.2
occ:1.00
 OD1 D:ASP243 1.9 22.1 1.0
OD1 D:ASP247 1.9 25.0 1.0
OD2 D:ASP245 2.1 20.2 1.0
OG D:SER101 2.3 28.9 1.0
CG D:ASP247 2.9 24.6 1.0
CG D:ASP243 3.0 23.4 1.0
CG D:ASP245 3.1 20.9 1.0
OD2 D:ASP247 3.3 29.0 1.0
OD1 D:ASP245 3.4 19.6 1.0
CB D:SER101 3.4 25.2 1.0
OD2 D:ASP243 3.5 22.9 1.0
NH1 D:ARG248 3.6 47.7 1.0
CA D:SER101 4.1 25.3 1.0
CB D:ASP247 4.2 23.6 1.0
CB D:ASP243 4.2 21.8 1.0
CG D:ARG248 4.3 35.2 1.0
N D:ASP247 4.3 22.1 1.0
C D:SER101 4.4 25.7 1.0
CB D:ASP245 4.5 19.3 1.0
N D:ASP245 4.5 20.4 1.0
CZ D:ARG248 4.7 47.6 1.0
N D:HIS102 4.7 24.9 1.0
N D:ARG248 4.7 25.4 1.0
CA D:ASP247 4.8 23.0 1.0
CA D:ASP245 4.8 20.3 1.0
N D:ALA246 4.9 19.7 1.0
C D:ASP245 4.9 18.1 1.0
O D:SER101 5.0 26.6 1.0

Reference:

T.Kawamura, M.Tsuge, N.Watanabe, I.Tanaka. Crystal Structure of Pyrococcus Horikoshii Phosphomannomutase/Phosphoglucomutase To Be Published.
Page generated: Tue Aug 13 17:23:14 2024

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