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Magnesium in PDB 5k2m: Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa

Protein crystallography data

The structure of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa, PDB code: 5k2m was solved by A.Yoshida, T.Tomita, M.Nishiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.18
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.150, 135.099, 136.977, 90.00, 97.49, 90.00
R / Rfree (%) 18 / 22

Other elements in 5k2m:

The structure of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa (pdb code 5k2m). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa, PDB code: 5k2m:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 5k2m

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Magnesium binding site 1 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:37.0
occ:1.00
O1 A:PO4302 2.0 40.0 1.0
OD2 A:ASP229 2.0 45.0 1.0
O1A A:ADP301 2.0 38.2 1.0
O A:HOH413 2.2 42.7 1.0
O1B A:ADP301 2.2 38.6 1.0
OE1 A:GLU241 2.3 51.4 1.0
CG A:ASP229 3.2 43.2 1.0
P A:PO4302 3.3 39.5 1.0
PB A:ADP301 3.3 39.4 1.0
PA A:ADP301 3.3 36.7 1.0
MG A:MG304 3.5 42.0 1.0
O4 A:PO4302 3.5 44.3 1.0
CD A:GLU241 3.5 50.9 1.0
O3A A:ADP301 3.7 36.5 1.0
O3B A:ADP301 3.7 37.3 1.0
OD1 A:ASP229 3.8 44.6 1.0
OD1 A:ASN195 3.9 48.8 1.0
C5' A:ADP301 4.1 32.3 1.0
OE2 A:GLU241 4.1 53.7 1.0
NH2 A:ARG187 4.1 47.4 1.0
O5' A:ADP301 4.2 33.4 1.0
O3 A:PO4302 4.2 43.0 1.0
ND2 A:ASN243 4.2 40.7 1.0
CB A:ASP229 4.3 41.4 1.0
O3' A:ADP301 4.3 32.7 1.0
O2 A:PO4302 4.3 43.4 1.0
NH1 A:ARG173 4.4 53.7 1.0
NH1 A:ARG187 4.5 47.3 1.0
O2A A:ADP301 4.5 32.6 1.0
CB A:GLU241 4.6 45.4 1.0
CG A:GLU241 4.6 51.3 1.0
O2B A:ADP301 4.6 35.2 1.0
OD1 A:ASN243 4.7 39.9 1.0
C3' A:ADP301 4.7 32.9 1.0
ND2 A:ASN240 4.7 38.7 1.0
CZ A:ARG187 4.8 47.2 1.0
CG A:ASN195 4.8 48.7 1.0
CG A:ASN243 4.9 39.9 1.0
C4' A:ADP301 4.9 33.1 1.0

Magnesium binding site 2 out of 9 in 5k2m

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Magnesium binding site 2 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:42.0
occ:1.00
O4 A:PO4302 1.9 44.3 1.0
OE2 A:GLU241 1.9 53.7 1.0
OD1 A:ASN243 2.0 39.9 1.0
O A:HOH420 2.2 45.0 1.0
O3B A:ADP301 2.3 37.3 1.0
CD A:GLU241 2.5 50.9 1.0
OE1 A:GLU241 2.6 51.4 1.0
P A:PO4302 3.0 39.5 1.0
CG A:ASN243 3.0 39.9 1.0
PB A:ADP301 3.4 39.4 1.0
O1 A:PO4302 3.4 40.0 1.0
ND2 A:ASN243 3.4 40.7 1.0
MG A:MG303 3.5 37.0 1.0
O1B A:ADP301 3.5 38.6 1.0
O3 A:PO4302 3.6 43.0 1.0
OG A:SER127 3.8 45.7 1.0
O A:HOH441 3.9 51.7 1.0
CG A:GLU241 4.0 51.3 1.0
NZ A:LYS83 4.1 43.3 1.0
CA A:SER127 4.2 46.3 1.0
O A:GLY126 4.3 42.5 1.0
O2 A:PO4302 4.3 43.4 1.0
O E:HOH207 4.3 46.4 1.0
CB A:SER127 4.3 47.3 1.0
CB A:ASN243 4.4 37.5 1.0
O3A A:ADP301 4.4 36.5 1.0
O2B A:ADP301 4.5 35.2 1.0
O1A A:ADP301 4.6 38.2 1.0
OD2 A:ASP229 4.8 45.0 1.0
CE A:LYS83 4.8 45.3 1.0
O A:HOH454 4.9 41.3 1.0
O A:VAL242 4.9 42.7 1.0
N A:TRP128 4.9 45.7 1.0
CB A:GLU241 5.0 45.4 1.0

Magnesium binding site 3 out of 9 in 5k2m

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Magnesium binding site 3 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:42.0
occ:1.00
O2A B:ADP301 1.9 37.2 1.0
OD2 B:ASP229 2.0 43.8 1.0
O3B B:ADP301 2.1 40.5 1.0
O3 B:PO4302 2.1 37.2 1.0
O B:HOH418 2.1 43.4 1.0
OE1 B:GLU241 2.3 49.3 1.0
CG B:ASP229 3.1 41.8 1.0
PB B:ADP301 3.2 43.8 1.0
PA B:ADP301 3.2 38.2 1.0
P B:PO4302 3.4 37.9 1.0
MG B:MG304 3.4 45.0 1.0
CD B:GLU241 3.5 49.9 1.0
O3A B:ADP301 3.6 38.0 1.0
O1B B:ADP301 3.6 39.0 1.0
O1 B:PO4302 3.6 36.5 1.0
OD1 B:ASP229 3.7 40.9 1.0
OD1 B:ASN195 3.8 41.6 1.0
C5' B:ADP301 4.0 34.3 1.0
OE2 B:GLU241 4.1 56.4 1.0
O5' B:ADP301 4.1 34.7 1.0
NH2 B:ARG187 4.1 46.3 1.0
O3' B:ADP301 4.1 37.8 1.0
CB B:ASP229 4.2 39.8 1.0
O2 B:PO4302 4.3 39.5 1.0
O4 B:PO4302 4.3 41.8 1.0
ND2 B:ASN243 4.4 40.2 1.0
O1A B:ADP301 4.4 38.3 1.0
NH1 B:ARG187 4.5 44.5 1.0
O2B B:ADP301 4.5 37.0 1.0
NH1 B:ARG173 4.6 55.0 1.0
C3' B:ADP301 4.6 34.4 1.0
CG B:GLU241 4.6 51.3 1.0
CB B:GLU241 4.7 45.7 1.0
OD1 B:ASN243 4.7 40.9 1.0
CG B:ASN195 4.7 40.1 1.0
CZ B:ARG187 4.8 45.4 1.0
ND2 B:ASN240 4.8 37.8 1.0
C4' B:ADP301 4.8 33.7 1.0

Magnesium binding site 4 out of 9 in 5k2m

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Magnesium binding site 4 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:45.0
occ:1.00
OE2 B:GLU241 1.8 56.4 1.0
O1 B:PO4302 1.9 36.5 1.0
O B:HOH409 2.0 43.0 1.0
OD1 B:ASN243 2.1 40.9 1.0
O1B B:ADP301 2.2 39.0 1.0
CD B:GLU241 2.4 49.9 1.0
OE1 B:GLU241 2.5 49.3 1.0
P B:PO4302 3.0 37.9 1.0
CG B:ASN243 3.1 40.6 1.0
PB B:ADP301 3.3 43.8 1.0
O3 B:PO4302 3.3 37.2 1.0
O3B B:ADP301 3.3 40.5 1.0
MG B:MG303 3.4 42.0 1.0
ND2 B:ASN243 3.5 40.2 1.0
O4 B:PO4302 3.6 41.8 1.0
OG B:SER127 3.8 48.6 1.0
CG B:GLU241 3.9 51.3 1.0
O B:HOH439 4.1 48.8 1.0
NZ B:LYS83 4.1 40.5 1.0
O2 B:PO4302 4.2 39.5 1.0
CA B:SER127 4.3 47.1 1.0
CB B:SER127 4.3 48.9 1.0
O3A B:ADP301 4.3 38.0 1.0
O B:GLY126 4.4 47.0 1.0
O F:HOH403 4.4 43.7 1.0
CB B:ASN243 4.4 38.6 1.0
O2B B:ADP301 4.4 37.0 1.0
O2A B:ADP301 4.4 37.2 1.0
OD2 B:ASP229 4.8 43.8 1.0
CE B:LYS83 4.9 40.5 1.0
O B:HOH459 4.9 46.7 1.0
CB B:GLU241 4.9 45.7 1.0
N B:TRP128 5.0 46.0 1.0

Magnesium binding site 5 out of 9 in 5k2m

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Magnesium binding site 5 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg303

b:58.7
occ:1.00
O4 G:PO4302 1.9 59.7 1.0
O2A G:ADP301 2.3 49.1 1.0
O2B G:ADP301 2.3 55.6 1.0
OD2 G:ASP229 2.4 63.8 1.0
OE1 G:GLU241 2.8 62.4 1.0
P G:PO4302 3.1 62.6 1.0
CG G:ASP229 3.1 55.2 1.0
O1 G:PO4302 3.3 64.2 1.0
OD1 G:ASP229 3.4 57.9 1.0
PB G:ADP301 3.5 62.9 1.0
PA G:ADP301 3.7 46.6 1.0
CD G:GLU241 3.7 59.7 1.0
OD1 G:ASN195 3.8 59.4 1.0
O1B G:ADP301 3.8 57.6 1.0
NH2 G:ARG187 3.9 65.7 1.0
O3 G:PO4302 4.0 62.7 1.0
O3' G:ADP301 4.0 39.6 1.0
CG G:GLU241 4.1 51.5 1.0
C5' G:ADP301 4.1 40.7 1.0
O3A G:ADP301 4.1 48.5 1.0
O2 G:PO4302 4.1 62.3 1.0
CB G:ASP229 4.3 48.8 1.0
ND2 G:ASN243 4.3 52.0 1.0
NH1 G:ARG187 4.3 65.7 1.0
O5' G:ADP301 4.4 43.8 1.0
NH1 G:ARG173 4.5 72.9 1.0
C3' G:ADP301 4.5 39.3 1.0
CZ G:ARG187 4.6 63.0 1.0
CG G:ASN195 4.7 58.7 1.0
OE2 G:GLU241 4.7 60.4 1.0
ND2 G:ASN240 4.8 44.5 1.0
C4' G:ADP301 4.8 39.9 1.0
O3B G:ADP301 4.8 57.6 1.0
O1A G:ADP301 4.8 46.6 1.0
OD1 G:ASN243 4.9 61.4 1.0
ND2 G:ASN195 4.9 56.6 1.0

Magnesium binding site 6 out of 9 in 5k2m

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Magnesium binding site 6 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg303

b:52.6
occ:1.00
O3A H:ADP301 2.0 53.5 1.0
OD2 H:ASP229 2.1 59.1 1.0
O2 H:SO4302 2.3 61.0 1.0
O1B H:ADP301 2.4 55.8 1.0
OE1 H:GLU241 2.5 46.7 1.0
PB H:ADP301 2.8 56.0 1.0
CG H:ASP229 3.2 52.4 1.0
CD H:GLU241 3.3 49.8 1.0
O2B H:ADP301 3.4 53.7 1.0
PA H:ADP301 3.4 43.2 1.0
S H:SO4302 3.5 59.5 1.0
CG H:GLU241 3.7 45.5 1.0
O3 H:SO4302 3.8 58.2 1.0
OD1 H:ASP229 3.9 55.7 1.0
C5' H:ADP301 4.0 36.7 1.0
NH2 H:ARG187 4.0 52.2 1.0
O5' H:ADP301 4.0 40.2 1.0
O3' H:ADP301 4.0 37.5 1.0
O1A H:ADP301 4.0 43.5 1.0
ND2 H:ASN195 4.1 46.3 1.0
MG H:MG304 4.1 64.5 1.0
O3B H:ADP301 4.2 56.2 1.0
ND2 H:ASN243 4.3 44.1 1.0
CB H:ASP229 4.3 45.3 1.0
OE2 H:GLU241 4.4 46.0 1.0
O1 H:SO4302 4.4 58.0 1.0
O2A H:ADP301 4.4 52.0 1.0
C3' H:ADP301 4.5 34.4 1.0
O4 H:SO4302 4.5 58.8 1.0
NH1 H:ARG173 4.6 57.9 1.0
ND2 H:ASN240 4.6 38.0 1.0
NH1 H:ARG187 4.6 53.8 1.0
CZ H:ARG187 4.8 52.5 1.0
C4' H:ADP301 4.8 34.3 1.0
OD1 H:ASN243 5.0 46.5 1.0
CG H:ASN195 5.0 49.8 1.0

Magnesium binding site 7 out of 9 in 5k2m

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Magnesium binding site 7 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg304

b:64.5
occ:1.00
O2B H:ADP301 2.0 53.7 1.0
O H:HOH401 2.1 53.0 1.0
OD1 H:ASN243 2.2 46.5 1.0
O3 H:SO4302 2.3 58.2 1.0
OE1 H:GLU241 2.4 46.7 1.0
OE2 H:GLU241 2.6 46.0 1.0
CD H:GLU241 2.8 49.8 1.0
CG H:ASN243 3.3 43.8 1.0
PB H:ADP301 3.3 56.0 1.0
S H:SO4302 3.5 59.5 1.0
O H:GLY126 3.7 54.0 1.0
NZ H:LYS83 3.7 50.2 1.0
O H:HOH434 3.7 59.6 1.0
ND2 H:ASN243 3.7 44.1 1.0
O1B H:ADP301 3.8 55.8 1.0
OG H:SER127 3.9 57.0 1.0
O2 H:SO4302 3.9 61.0 1.0
CA H:SER127 4.0 54.4 1.0
O4 H:SO4302 4.0 58.8 1.0
O L:HOH203 4.1 51.7 1.0
O3A H:ADP301 4.1 53.5 1.0
CB H:SER127 4.1 55.1 1.0
MG H:MG303 4.1 52.6 1.0
CG H:GLU241 4.3 45.5 1.0
O H:HOH428 4.3 55.4 1.0
O3B H:ADP301 4.4 56.2 1.0
CB H:ASN243 4.6 40.6 1.0
C H:GLY126 4.6 53.5 1.0
CE H:LYS83 4.6 49.5 1.0
O1 H:SO4302 4.7 58.0 1.0
N H:SER127 4.8 55.1 1.0
O H:VAL242 5.0 44.1 1.0

Magnesium binding site 8 out of 9 in 5k2m

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Magnesium binding site 8 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg303

b:43.0
occ:1.00
O2A J:ADP301 2.0 41.8 1.0
OD2 J:ASP229 2.0 46.8 1.0
O1 J:PO4302 2.1 44.0 1.0
O1B J:ADP301 2.2 40.7 1.0
O J:HOH408 2.3 45.9 1.0
OE1 J:GLU241 2.5 57.7 1.0
CG J:ASP229 3.2 46.3 1.0
PB J:ADP301 3.2 45.9 1.0
P J:PO4302 3.3 41.6 1.0
MG J:MG304 3.3 45.1 1.0
PA J:ADP301 3.3 39.8 1.0
O3 J:PO4302 3.4 42.2 1.0
O2B J:ADP301 3.5 44.5 1.0
CD J:GLU241 3.7 55.0 1.0
O3A J:ADP301 3.7 39.0 1.0
OD1 J:ASP229 3.7 48.0 1.0
ND2 J:ASN243 4.0 46.3 1.0
OD1 J:ASN195 4.0 44.2 1.0
O4 J:PO4302 4.2 42.6 1.0
C5' J:ADP301 4.2 31.9 1.0
NH2 J:ARG187 4.2 52.1 1.0
O5' J:ADP301 4.2 34.5 1.0
O2 J:PO4302 4.3 41.0 1.0
CB J:ASP229 4.3 43.0 1.0
O3' J:ADP301 4.3 33.5 1.0
NH2 J:ARG173 4.4 46.4 1.0
OE2 J:GLU241 4.4 56.3 1.0
O1A J:ADP301 4.4 38.1 1.0
CB J:GLU241 4.6 49.5 1.0
NH1 J:ARG187 4.6 50.6 1.0
O3B J:ADP301 4.6 38.2 1.0
OD1 J:ASN243 4.7 45.9 1.0
CG J:GLU241 4.7 54.1 1.0
ND2 J:ASN240 4.7 40.9 1.0
C3' J:ADP301 4.7 33.1 1.0
CG J:ASN243 4.8 46.6 1.0
CZ J:ARG187 4.9 51.3 1.0
CG J:ASN195 5.0 41.8 1.0

Magnesium binding site 9 out of 9 in 5k2m

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Magnesium binding site 9 out of 9 in the Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Bifunctional Lysx/Argx From Thermococcus Kodakarensis with Lysw-Gamma- Aaa within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg304

b:45.1
occ:1.00
O3 J:PO4302 1.9 42.2 1.0
O2B J:ADP301 2.1 44.5 1.0
OD1 J:ASN243 2.2 45.9 1.0
O J:HOH405 2.2 39.9 1.0
OE2 J:GLU241 2.4 56.3 1.0
OE1 J:GLU241 2.5 57.7 1.0
CD J:GLU241 2.8 55.0 1.0
P J:PO4302 3.1 41.6 1.0
CG J:ASN243 3.1 46.6 1.0
PB J:ADP301 3.3 45.9 1.0
MG J:MG303 3.3 43.0 1.0
ND2 J:ASN243 3.3 46.3 1.0
O1B J:ADP301 3.4 40.7 1.0
O1 J:PO4302 3.4 44.0 1.0
O4 J:PO4302 3.6 42.6 1.0
NZ J:LYS83 3.9 44.8 1.0
OG J:SER127 4.0 48.7 1.0
O J:HOH411 4.0 51.6 1.0
O J:GLY126 4.2 45.7 1.0
CA J:SER127 4.2 47.4 1.0
O2 J:PO4302 4.3 41.0 1.0
CG J:GLU241 4.3 54.1 1.0
O3A J:ADP301 4.3 39.0 1.0
CB J:SER127 4.3 47.7 1.0
O3B J:ADP301 4.4 38.2 1.0
O2A J:ADP301 4.4 41.8 1.0
CB J:ASN243 4.5 44.9 1.0
CE J:LYS83 4.8 45.6 1.0
OD2 J:ASP229 4.9 46.8 1.0
O J:VAL242 5.0 42.4 1.0
PA J:ADP301 5.0 39.8 1.0

Reference:

A.Yoshida, T.Tomita, H.Atomi, T.Kuzuyama, M.Nishiyama. Lysine Biosynthesis of Thermococcus Kodakarensis with the Capacity to Function As An Ornithine Biosynthetic System. J. Biol. Chem. V. 291 21630 2016.
ISSN: ESSN 1083-351X
PubMed: 27566549
DOI: 10.1074/JBC.M116.743021
Page generated: Sun Sep 29 18:49:53 2024

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