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Magnesium in PDB 7cqu: Gmas/Adp/Metsox-P Complex

Enzymatic activity of Gmas/Adp/Metsox-P Complex

All present enzymatic activity of Gmas/Adp/Metsox-P Complex:
6.3.1.2;

Protein crystallography data

The structure of Gmas/Adp/Metsox-P Complex, PDB code: 7cqu was solved by C.Y.Li, Y.Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.90 / 2.06
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 116.598, 174.727, 190.618, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Gmas/Adp/Metsox-P Complex (pdb code 7cqu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Gmas/Adp/Metsox-P Complex, PDB code: 7cqu:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 7cqu

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Magnesium binding site 1 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:17.8
occ:1.00
O2A A:P3S505 2.1 12.3 1.0
O1A A:ADP504 2.1 19.9 1.0
OE1 A:GLU122 2.2 17.2 1.0
OE2 A:GLU186 2.2 18.0 1.0
O A:HOH868 2.2 19.3 1.0
O2B A:ADP504 2.3 20.3 1.0
CD A:GLU186 3.1 19.6 1.0
CD A:GLU122 3.2 18.6 1.0
OE1 A:GLU186 3.3 17.7 1.0
PA A:P3S505 3.3 19.1 1.0
PB A:ADP504 3.4 18.4 1.0
PA A:ADP504 3.4 20.4 1.0
O A:HOH764 3.5 14.6 1.0
MG A:MG503 3.5 20.5 1.0
O1A A:P3S505 3.7 19.9 1.0
CG A:GLU122 3.7 15.7 1.0
O3A A:ADP504 3.7 21.5 1.0
MG A:MG502 3.8 18.7 1.0
O1B A:ADP504 3.9 18.3 1.0
ND2 A:ASN188 4.0 13.9 1.0
O A:HOH815 4.0 21.5 1.0
O A:HOH626 4.0 15.3 1.0
OD1 A:ASN188 4.2 21.9 1.0
O3A A:P3S505 4.2 17.8 1.0
OE2 A:GLU122 4.2 17.9 1.0
CB A:GLU122 4.2 14.7 1.0
O2A A:ADP504 4.4 17.5 1.0
NE A:P3S505 4.4 15.4 1.0
CG A:GLU186 4.4 18.8 1.0
O A:HOH688 4.4 17.7 1.0
O5' A:ADP504 4.5 22.6 1.0
CG A:ASN188 4.5 17.6 1.0
O3B A:ADP504 4.7 18.1 1.0
OE2 A:GLU179 4.8 16.6 1.0

Magnesium binding site 2 out of 9 in 7cqu

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Magnesium binding site 2 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:18.7
occ:1.00
OE2 A:GLU325 2.1 18.6 1.0
O1A A:P3S505 2.1 19.9 1.0
OE1 A:GLU122 2.2 17.2 1.0
O1B A:ADP504 2.2 18.3 1.0
OE2 A:GLU122 2.3 17.9 1.0
ND1 A:HIS235 2.5 16.2 1.0
CD A:GLU122 2.6 18.6 1.0
CD A:GLU325 3.3 17.5 1.0
PA A:P3S505 3.4 19.1 1.0
PB A:ADP504 3.4 18.4 1.0
CE1 A:HIS235 3.4 15.0 1.0
CG A:HIS235 3.4 16.4 1.0
O2B A:ADP504 3.6 20.3 1.0
CB A:HIS235 3.7 16.6 1.0
O2A A:P3S505 3.7 12.3 1.0
NH1 A:ARG327 3.7 15.5 1.0
O A:HOH764 3.8 14.6 1.0
NE2 A:HIS237 3.8 15.4 1.0
MG A:MG501 3.8 17.8 1.0
NH1 A:ARG317 4.0 18.6 1.0
OE1 A:GLU325 4.0 17.5 1.0
CG A:GLU122 4.1 15.7 1.0
O3A A:ADP504 4.1 21.5 1.0
CG A:GLU325 4.3 17.1 1.0
NE A:P3S505 4.3 15.4 1.0
O3A A:P3S505 4.4 17.8 1.0
NE2 A:HIS235 4.5 15.2 1.0
CD2 A:HIS237 4.5 17.6 1.0
O3B A:ADP504 4.5 18.1 1.0
CD2 A:HIS235 4.5 16.1 1.0
O1A A:ADP504 4.6 19.9 1.0
CB A:GLU122 4.7 14.7 1.0
CE1 A:HIS237 4.8 19.9 1.0
CZ A:ARG327 4.9 16.5 1.0
PA A:ADP504 4.9 20.4 1.0

Magnesium binding site 3 out of 9 in 7cqu

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Magnesium binding site 3 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:20.5
occ:1.00
OE1 A:GLU186 2.0 17.7 1.0
OE2 A:GLU124 2.1 16.5 1.0
OE2 A:GLU179 2.2 16.6 1.0
O2A A:P3S505 2.3 12.3 1.0
O A:HOH764 2.3 14.6 1.0
NE A:P3S505 2.4 15.4 1.0
PA A:P3S505 3.0 19.1 1.0
CD A:GLU179 3.0 17.5 1.0
CD A:GLU186 3.1 19.6 1.0
CD A:GLU124 3.1 15.8 1.0
OE2 A:GLU186 3.5 18.0 1.0
MG A:MG501 3.5 17.8 1.0
CG A:GLU124 3.6 13.3 1.0
SD A:P3S505 3.6 15.5 1.0
O A:HOH626 3.7 15.3 1.0
CG A:GLU179 3.7 15.9 1.0
OE1 A:GLU179 3.8 14.8 1.0
O1A A:P3S505 4.0 19.9 1.0
CG A:P3S505 4.1 13.4 1.0
O3A A:P3S505 4.1 17.8 1.0
OE1 A:GLU124 4.1 17.4 1.0
OE1 A:GLU122 4.1 17.2 1.0
CE A:P3S505 4.2 15.2 1.0
CG A:GLU186 4.4 18.8 1.0
O A:HOH868 4.4 19.3 1.0
CB A:P3S505 4.4 14.8 1.0
O A:HOH697 4.5 18.3 1.0
CE1 A:HIS235 4.5 15.0 1.0
CB A:GLU186 4.5 21.0 1.0
O A:HOH688 4.7 17.7 1.0
ND1 A:HIS235 4.8 16.2 1.0
OE A:P3S505 4.9 16.2 1.0

Magnesium binding site 4 out of 9 in 7cqu

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Magnesium binding site 4 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:18.1
occ:1.00
O2A B:P3S505 2.0 15.5 1.0
O2A B:ADP504 2.1 21.6 1.0
OE1 B:GLU122 2.2 18.3 1.0
O2B B:ADP504 2.2 17.9 1.0
OE2 B:GLU186 2.3 17.2 1.0
O B:HOH842 2.3 20.8 1.0
CD B:GLU186 3.1 15.2 1.0
PB B:ADP504 3.3 19.6 1.0
CD B:GLU122 3.3 18.4 1.0
PA B:ADP504 3.3 21.7 1.0
PA B:P3S505 3.3 18.1 1.0
OE1 B:GLU186 3.4 14.8 1.0
O3A B:ADP504 3.6 20.2 1.0
MG B:MG503 3.6 18.8 1.0
O B:HOH830 3.6 13.6 1.0
O1A B:P3S505 3.7 15.6 1.0
O1B B:ADP504 3.7 19.5 1.0
MG B:MG502 3.8 16.4 1.0
O B:HOH769 3.8 18.7 1.0
CG B:GLU122 3.9 17.9 1.0
ND2 B:ASN188 4.0 13.0 1.0
O B:HOH614 4.0 14.6 1.0
OD1 B:ASN188 4.1 18.0 1.0
O3A B:P3S505 4.1 17.5 1.0
OE2 B:GLU122 4.3 18.3 1.0
O1A B:ADP504 4.3 15.1 1.0
CB B:GLU122 4.3 14.7 1.0
O5' B:ADP504 4.4 21.9 1.0
CG B:ASN188 4.4 16.4 1.0
O B:HOH618 4.4 15.0 1.0
NE B:P3S505 4.4 15.2 1.0
CG B:GLU186 4.5 14.3 1.0
O3B B:ADP504 4.5 17.9 1.0
OE2 B:GLU179 4.7 18.1 1.0
NE2 B:GLN175 4.9 17.8 1.0

Magnesium binding site 5 out of 9 in 7cqu

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Magnesium binding site 5 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:16.4
occ:1.00
OE2 B:GLU325 2.1 20.6 1.0
O1A B:P3S505 2.1 15.6 1.0
O1B B:ADP504 2.1 19.5 1.0
OE1 B:GLU122 2.2 18.3 1.0
OE2 B:GLU122 2.3 18.3 1.0
ND1 B:HIS235 2.4 13.6 1.0
CD B:GLU122 2.6 18.4 1.0
CE1 B:HIS235 3.2 14.4 1.0
CD B:GLU325 3.3 18.2 1.0
PB B:ADP504 3.4 19.6 1.0
CG B:HIS235 3.4 13.8 1.0
PA B:P3S505 3.4 18.1 1.0
O2B B:ADP504 3.6 17.9 1.0
O2A B:P3S505 3.6 15.5 1.0
O B:HOH830 3.7 13.6 1.0
CB B:HIS235 3.7 13.1 1.0
MG B:MG501 3.8 18.1 1.0
NH1 B:ARG327 3.8 14.8 1.0
NE2 B:HIS237 3.9 19.1 1.0
NH1 B:ARG317 4.0 16.6 1.0
OE1 B:GLU325 4.0 18.6 1.0
CG B:GLU122 4.0 17.9 1.0
O3A B:ADP504 4.1 20.2 1.0
NE B:P3S505 4.3 15.2 1.0
CG B:GLU325 4.3 17.7 1.0
NE2 B:HIS235 4.4 13.3 1.0
CD2 B:HIS235 4.5 13.5 1.0
O3A B:P3S505 4.5 17.5 1.0
O3B B:ADP504 4.5 17.9 1.0
CD2 B:HIS237 4.6 18.4 1.0
CB B:GLU122 4.6 14.7 1.0
O2A B:ADP504 4.7 21.6 1.0
CZ B:ARG327 4.9 18.6 1.0
CE1 B:HIS237 4.9 20.8 1.0
MG B:MG503 5.0 18.8 1.0
PA B:ADP504 5.0 21.7 1.0

Magnesium binding site 6 out of 9 in 7cqu

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Magnesium binding site 6 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:18.8
occ:1.00
OE1 B:GLU186 2.0 14.8 1.0
OE2 B:GLU179 2.2 18.1 1.0
O B:HOH830 2.2 13.6 1.0
OE2 B:GLU124 2.2 16.3 1.0
O2A B:P3S505 2.3 15.5 1.0
NE B:P3S505 2.4 15.2 1.0
PA B:P3S505 3.0 18.1 1.0
CD B:GLU179 3.0 17.1 1.0
CD B:GLU186 3.1 15.2 1.0
CD B:GLU124 3.1 17.3 1.0
OE2 B:GLU186 3.5 17.2 1.0
CG B:GLU124 3.6 13.2 1.0
MG B:MG501 3.6 18.1 1.0
SD B:P3S505 3.7 16.0 1.0
CG B:GLU179 3.7 15.2 1.0
OE1 B:GLU179 3.8 15.5 1.0
O B:HOH614 3.8 14.6 1.0
O1A B:P3S505 3.9 15.6 1.0
CG B:P3S505 4.0 14.6 1.0
O3A B:P3S505 4.1 17.5 1.0
OE1 B:GLU124 4.1 16.2 1.0
OE1 B:GLU122 4.1 18.3 1.0
CE B:P3S505 4.2 15.9 1.0
CG B:GLU186 4.3 14.3 1.0
CB B:P3S505 4.4 15.9 1.0
CE1 B:HIS235 4.5 14.4 1.0
O B:HOH842 4.5 20.8 1.0
CB B:GLU186 4.5 17.7 1.0
O B:HOH661 4.6 17.3 1.0
ND1 B:HIS235 4.8 13.6 1.0
O B:HOH618 4.8 15.0 1.0
OE B:P3S505 4.9 15.9 1.0
MG B:MG502 5.0 16.4 1.0

Magnesium binding site 7 out of 9 in 7cqu

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Magnesium binding site 7 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:16.6
occ:1.00
O3A C:P3S505 2.0 11.9 1.0
OE1 C:GLU122 2.1 16.8 1.0
OE2 C:GLU186 2.2 16.0 1.0
O2B C:ADP504 2.2 17.2 1.0
O2A C:ADP504 2.2 17.3 1.0
O C:HOH810 2.3 19.9 1.0
CD C:GLU186 3.1 17.5 1.0
CD C:GLU122 3.1 16.5 1.0
OE1 C:GLU186 3.3 15.6 1.0
PB C:ADP504 3.3 21.2 1.0
PA C:P3S505 3.3 17.4 1.0
PA C:ADP504 3.4 17.7 1.0
MG C:MG503 3.5 18.0 1.0
O C:HOH811 3.6 13.4 1.0
O3A C:ADP504 3.7 19.5 1.0
O2A C:P3S505 3.7 16.1 1.0
O3B C:ADP504 3.8 17.4 1.0
MG C:MG502 3.8 17.8 1.0
CG C:GLU122 3.8 14.4 1.0
O C:HOH756 3.9 19.0 1.0
O C:HOH613 4.0 17.1 1.0
OD1 C:ASN188 4.0 21.4 1.0
ND2 C:ASN188 4.0 14.1 1.0
O1A C:P3S505 4.1 17.2 1.0
OE2 C:GLU122 4.1 14.7 1.0
CB C:GLU122 4.3 13.3 1.0
NE C:P3S505 4.3 12.7 1.0
O C:HOH640 4.4 17.4 1.0
O1A C:ADP504 4.4 16.5 1.0
CG C:ASN188 4.4 20.5 1.0
CG C:GLU186 4.4 15.2 1.0
O5' C:ADP504 4.5 20.4 1.0
O1B C:ADP504 4.5 16.3 1.0
OE2 C:GLU179 4.8 19.8 1.0
NE2 C:GLN175 5.0 20.2 1.0

Magnesium binding site 8 out of 9 in 7cqu

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Magnesium binding site 8 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:17.8
occ:1.00
OE2 C:GLU325 2.1 17.4 1.0
O2A C:P3S505 2.1 16.1 1.0
O3B C:ADP504 2.1 17.4 1.0
OE2 C:GLU122 2.3 14.7 1.0
OE1 C:GLU122 2.3 16.8 1.0
ND1 C:HIS235 2.5 14.0 1.0
CD C:GLU122 2.6 16.5 1.0
CD C:GLU325 3.3 16.9 1.0
PB C:ADP504 3.3 21.2 1.0
PA C:P3S505 3.3 17.4 1.0
CE1 C:HIS235 3.4 17.2 1.0
CG C:HIS235 3.4 16.9 1.0
O2B C:ADP504 3.6 17.2 1.0
CB C:HIS235 3.6 15.1 1.0
O3A C:P3S505 3.6 11.9 1.0
NH1 C:ARG327 3.8 13.3 1.0
O C:HOH811 3.8 13.4 1.0
MG C:MG501 3.8 16.6 1.0
NE2 C:HIS237 3.8 16.7 1.0
NH1 C:ARG317 4.0 16.4 1.0
OE1 C:GLU325 4.0 19.7 1.0
CG C:GLU122 4.0 14.4 1.0
O3A C:ADP504 4.1 19.5 1.0
CG C:GLU325 4.3 17.5 1.0
NE C:P3S505 4.4 12.7 1.0
O1A C:P3S505 4.4 17.2 1.0
O1B C:ADP504 4.5 16.3 1.0
NE2 C:HIS235 4.5 15.2 1.0
CD2 C:HIS235 4.5 13.3 1.0
CD2 C:HIS237 4.6 16.2 1.0
CB C:GLU122 4.6 13.3 1.0
O2A C:ADP504 4.8 17.3 1.0
CE1 C:HIS237 4.8 20.1 1.0
CZ C:ARG327 4.8 16.3 1.0
PA C:ADP504 5.0 17.7 1.0
MG C:MG503 5.0 18.0 1.0

Magnesium binding site 9 out of 9 in 7cqu

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Magnesium binding site 9 out of 9 in the Gmas/Adp/Metsox-P Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Gmas/Adp/Metsox-P Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg503

b:18.0
occ:1.00
OE1 C:GLU186 2.0 15.6 1.0
OE2 C:GLU124 2.2 16.4 1.0
O C:HOH811 2.2 13.4 1.0
OE2 C:GLU179 2.2 19.8 1.0
O3A C:P3S505 2.3 11.9 1.0
NE C:P3S505 2.3 12.7 1.0
PA C:P3S505 3.0 17.4 1.0
CD C:GLU186 3.0 17.5 1.0
CD C:GLU179 3.0 17.2 1.0
CD C:GLU124 3.1 16.6 1.0
OE2 C:GLU186 3.4 16.0 1.0
MG C:MG501 3.5 16.6 1.0
CG C:GLU124 3.6 14.7 1.0
SD C:P3S505 3.6 16.0 1.0
CG C:GLU179 3.7 14.9 1.0
O C:HOH613 3.8 17.1 1.0
OE1 C:GLU179 3.9 16.8 1.0
O2A C:P3S505 3.9 16.1 1.0
OE1 C:GLU122 4.0 16.8 1.0
CG C:P3S505 4.0 13.1 1.0
O1A C:P3S505 4.1 17.2 1.0
OE1 C:GLU124 4.1 15.1 1.0
CE C:P3S505 4.3 15.8 1.0
CG C:GLU186 4.3 15.2 1.0
CB C:P3S505 4.5 13.5 1.0
O C:HOH810 4.5 19.9 1.0
CB C:GLU186 4.5 14.8 1.0
CE1 C:HIS235 4.5 17.2 1.0
ND1 C:HIS235 4.8 14.0 1.0
O C:HOH640 4.8 17.4 1.0
OE C:P3S505 4.8 15.6 1.0
MG C:MG502 5.0 17.8 1.0

Reference:

N.Wang, X.L.Chen, C.Gao, M.Peng, P.Wang, N.Zhang, F.Li, G.P.Yang, Q.T.Shen, S.Li, Y.Chen, Y.Z.Zhang, C.Y.Li. Crystal Structures of Gamma-Glutamylmethylamide Synthetase Provide Insight Into Bacterial Metabolism of Oceanic Monomethylamine. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33199371
DOI: 10.1074/JBC.RA120.015952
Page generated: Wed Oct 2 14:19:53 2024

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