Magnesium in PDB 7cqq: Gmas in Complex with Amppnp and Metsox

Enzymatic activity of Gmas in Complex with Amppnp and Metsox

All present enzymatic activity of Gmas in Complex with Amppnp and Metsox:
6.3.1.2;

Protein crystallography data

The structure of Gmas in Complex with Amppnp and Metsox, PDB code: 7cqq 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) 31.83 / 2.30
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 115.553, 174.476, 190.125, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 19.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Gmas in Complex with Amppnp and Metsox (pdb code 7cqq). 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 in Complex with Amppnp and Metsox, PDB code: 7cqq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 7cqq

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Magnesium binding site 1 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:36.6
occ:1.00
O3G A:ANP504 2.2 30.9 1.0
O2A A:ANP504 2.2 36.5 1.0
O A:HOH609 2.2 36.0 1.0
OE2 A:GLU186 2.3 33.6 1.0
OE1 A:GLU122 2.3 31.6 1.0
N3B A:ANP504 2.7 36.5 1.0
CD A:GLU186 2.9 33.8 1.0
PG A:ANP504 2.9 36.9 1.0
OE1 A:GLU186 2.9 34.3 1.0
CD A:GLU122 3.3 32.1 1.0
MG A:MG503 3.4 33.3 1.0
O A:HOH765 3.4 36.1 1.0
PA A:ANP504 3.6 35.8 1.0
CG A:GLU122 3.9 31.1 1.0
O2G A:ANP504 3.9 31.4 1.0
OD1 A:ASN188 3.9 33.0 1.0
O A:HOH601 3.9 37.2 1.0
ND2 A:ASN188 4.0 30.7 1.0
PB A:ANP504 4.0 32.7 1.0
O3A A:ANP504 4.1 33.8 1.0
O1B A:ANP504 4.1 32.1 1.0
MG A:MG502 4.1 32.4 1.0
O1G A:ANP504 4.2 34.0 1.0
CB A:GLU122 4.3 28.7 1.0
CG A:GLU186 4.3 29.3 1.0
O C:HOH631 4.3 47.4 1.0
CG A:ASN188 4.3 34.0 1.0
OE2 A:GLU122 4.4 30.8 1.0
O A:HOH614 4.4 35.0 1.0
O5' A:ANP504 4.5 34.3 1.0
O1A A:ANP504 4.6 34.6 1.0
OE2 A:GLU179 4.6 38.3 1.0
OE A:MSL505 4.7 30.4 1.0
NE2 A:GLN175 4.9 32.8 1.0

Magnesium binding site 2 out of 9 in 7cqq

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Magnesium binding site 2 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:32.4
occ:1.00
OE2 A:GLU325 2.0 31.8 1.0
O2G A:ANP504 2.1 31.4 1.0
OE2 A:GLU122 2.3 30.8 1.0
O1B A:ANP504 2.3 32.1 1.0
OE1 A:GLU122 2.3 31.6 1.0
ND1 A:HIS235 2.5 27.4 1.0
CD A:GLU122 2.6 32.1 1.0
PG A:ANP504 3.2 36.9 1.0
CD A:GLU325 3.3 29.3 1.0
CG A:HIS235 3.3 28.7 1.0
PB A:ANP504 3.5 32.7 1.0
CE1 A:HIS235 3.5 27.0 1.0
CB A:HIS235 3.5 27.6 1.0
N3B A:ANP504 3.6 36.5 1.0
O3G A:ANP504 3.7 30.9 1.0
NE2 A:HIS237 3.7 29.0 1.0
NH1 A:ARG327 3.7 26.1 1.0
O A:HOH765 3.9 36.1 1.0
OE1 A:GLU325 4.0 31.5 1.0
CG A:GLU122 4.1 31.1 1.0
MG A:MG501 4.1 36.6 1.0
NH1 A:ARG317 4.2 28.6 1.0
CG A:GLU325 4.2 29.0 1.0
O3A A:ANP504 4.4 33.8 1.0
CD2 A:HIS235 4.5 29.4 1.0
CD2 A:HIS237 4.5 30.2 1.0
O2B A:ANP504 4.5 41.2 1.0
NE2 A:HIS235 4.5 25.9 1.0
O2A A:ANP504 4.6 36.5 1.0
O1G A:ANP504 4.6 34.0 1.0
CB A:GLU122 4.6 28.7 1.0
CE1 A:HIS237 4.7 33.0 1.0
CZ A:ARG327 4.8 28.0 1.0
PA A:ANP504 4.9 35.8 1.0
OE A:MSL505 4.9 30.4 1.0
O5' A:ANP504 4.9 34.3 1.0
CA A:HIS235 5.0 32.4 1.0

Magnesium binding site 3 out of 9 in 7cqq

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Magnesium binding site 3 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:33.3
occ:1.00
O3G A:ANP504 2.3 30.9 1.0
OE1 A:GLU186 2.4 34.3 1.0
OE2 A:GLU124 2.4 32.0 1.0
O A:HOH765 2.4 36.1 1.0
OE2 A:GLU179 2.4 38.3 1.0
OE A:MSL505 2.5 30.4 1.0
CD A:GLU179 3.0 33.2 1.0
MG A:MG501 3.4 36.6 1.0
CD A:GLU124 3.4 30.5 1.0
CD A:GLU186 3.4 33.8 1.0
SD A:MSL505 3.5 30.7 1.0
OE1 A:GLU179 3.5 31.0 1.0
PG A:ANP504 3.7 36.9 1.0
O A:HOH601 3.7 37.2 1.0
CG A:GLU179 3.8 31.0 1.0
OE2 A:GLU186 3.8 33.6 1.0
CG A:GLU124 4.0 28.6 1.0
O A:HOH614 4.0 35.0 1.0
CG A:MSL505 4.1 29.4 1.0
O2G A:ANP504 4.2 31.4 1.0
O1G A:ANP504 4.2 34.0 1.0
OE1 A:GLU122 4.2 31.6 1.0
OE1 A:GLU124 4.3 30.1 1.0
NE A:MSL505 4.3 35.8 1.0
CB A:MSL505 4.5 25.0 1.0
CE1 A:HIS235 4.5 27.0 1.0
O A:HOH609 4.6 36.0 1.0
O A:HOH652 4.7 30.2 1.0
CG A:GLU186 4.7 29.3 1.0
ND1 A:HIS235 4.8 27.4 1.0
CE A:MSL505 4.8 22.3 1.0
N3B A:ANP504 4.8 36.5 1.0
CB A:GLU186 4.9 28.7 1.0
O A:HOH639 5.0 30.6 1.0

Magnesium binding site 4 out of 9 in 7cqq

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Magnesium binding site 4 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:37.0
occ:1.00
O3G B:ANP504 2.1 34.9 1.0
O2A B:ANP504 2.1 40.6 1.0
OE2 B:GLU186 2.2 30.7 1.0
OE1 B:GLU122 2.2 34.3 1.0
O B:HOH759 2.3 38.3 1.0
N3B B:ANP504 2.7 38.4 1.0
PG B:ANP504 2.9 38.1 1.0
CD B:GLU186 2.9 32.3 1.0
OE1 B:GLU186 3.0 31.9 1.0
CD B:GLU122 3.2 34.4 1.0
O B:HOH745 3.3 36.3 1.0
MG B:MG503 3.5 31.1 1.0
PA B:ANP504 3.5 35.2 1.0
CG B:GLU122 3.7 31.9 1.0
O2G B:ANP504 3.8 36.0 1.0
ND2 B:ASN188 3.9 30.5 1.0
OD1 B:ASN188 4.0 35.5 1.0
PB B:ANP504 4.0 31.7 1.0
MG B:MG502 4.0 34.8 1.0
O1B B:ANP504 4.0 35.8 1.0
CB B:GLU122 4.0 28.2 1.0
O3A B:ANP504 4.1 38.2 1.0
O B:HOH601 4.2 35.5 1.0
O1G B:ANP504 4.3 38.0 1.0
CG B:GLU186 4.3 30.5 1.0
OE2 B:GLU122 4.3 35.4 1.0
CG B:ASN188 4.3 31.7 1.0
O5' B:ANP504 4.3 39.1 1.0
O B:HOH628 4.5 37.0 1.0
O1A B:ANP504 4.6 36.6 1.0
OE B:MSL505 4.9 32.5 1.0
O B:HOH615 4.9 38.5 1.0
OE2 B:GLU179 4.9 36.7 1.0

Magnesium binding site 5 out of 9 in 7cqq

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Magnesium binding site 5 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:34.8
occ:1.00
O2G B:ANP504 2.1 36.0 1.0
OE2 B:GLU325 2.1 35.1 1.0
OE1 B:GLU122 2.2 34.3 1.0
O1B B:ANP504 2.3 35.8 1.0
OE2 B:GLU122 2.3 35.4 1.0
ND1 B:HIS235 2.4 30.5 1.0
CD B:GLU122 2.6 34.4 1.0
PG B:ANP504 3.2 38.1 1.0
CG B:HIS235 3.3 31.9 1.0
CD B:GLU325 3.3 31.5 1.0
CE1 B:HIS235 3.4 30.8 1.0
CB B:HIS235 3.4 31.0 1.0
PB B:ANP504 3.5 31.7 1.0
N3B B:ANP504 3.6 38.4 1.0
O3G B:ANP504 3.7 34.9 1.0
NH1 B:ARG327 3.7 29.8 1.0
NE2 B:HIS237 3.8 28.6 1.0
O B:HOH745 3.8 36.3 1.0
MG B:MG501 4.0 37.0 1.0
OE1 B:GLU325 4.0 33.1 1.0
CG B:GLU122 4.1 31.9 1.0
NH1 B:ARG317 4.3 33.9 1.0
CG B:GLU325 4.3 31.5 1.0
CD2 B:HIS235 4.4 31.5 1.0
NE2 B:HIS235 4.5 29.4 1.0
O3A B:ANP504 4.5 38.2 1.0
O2A B:ANP504 4.5 40.6 1.0
CD2 B:HIS237 4.5 35.6 1.0
O1G B:ANP504 4.5 38.0 1.0
O2B B:ANP504 4.6 41.6 1.0
CB B:GLU122 4.7 28.2 1.0
CZ B:ARG327 4.8 30.6 1.0
OE B:MSL505 4.8 32.5 1.0
CE1 B:HIS237 4.8 34.2 1.0
PA B:ANP504 4.9 35.2 1.0
CA B:HIS235 4.9 31.9 1.0
O5' B:ANP504 5.0 39.1 1.0

Magnesium binding site 6 out of 9 in 7cqq

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Magnesium binding site 6 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:31.1
occ:1.00
OE2 B:GLU124 2.3 35.5 1.0
OE1 B:GLU186 2.4 31.9 1.0
O3G B:ANP504 2.4 34.9 1.0
O B:HOH745 2.4 36.3 1.0
OE2 B:GLU179 2.5 36.7 1.0
OE B:MSL505 2.6 32.5 1.0
CD B:GLU179 3.0 34.4 1.0
CD B:GLU124 3.4 31.7 1.0
MG B:MG501 3.5 37.0 1.0
CD B:GLU186 3.5 32.3 1.0
OE1 B:GLU179 3.5 31.0 1.0
SD B:MSL505 3.6 33.0 1.0
PG B:ANP504 3.7 38.1 1.0
CG B:GLU179 3.7 33.6 1.0
O B:HOH601 3.7 35.5 1.0
CG B:GLU124 3.9 29.9 1.0
OE2 B:GLU186 3.9 30.7 1.0
O B:HOH628 4.0 37.0 1.0
CG B:MSL505 4.1 30.4 1.0
O1G B:ANP504 4.2 38.0 1.0
O2G B:ANP504 4.3 36.0 1.0
O B:HOH759 4.3 38.3 1.0
OE1 B:GLU122 4.3 34.3 1.0
NE B:MSL505 4.4 35.3 1.0
CB B:MSL505 4.4 32.3 1.0
OE1 B:GLU124 4.4 32.4 1.0
CE1 B:HIS235 4.5 30.8 1.0
CG B:GLU186 4.7 30.5 1.0
ND1 B:HIS235 4.8 30.5 1.0
CB B:GLU186 4.8 31.7 1.0
O B:HOH621 4.8 35.0 1.0
N3B B:ANP504 4.9 38.4 1.0
CE B:MSL505 4.9 22.4 1.0

Magnesium binding site 7 out of 9 in 7cqq

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Magnesium binding site 7 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:33.5
occ:1.00
O3G C:ANP504 2.1 32.7 1.0
O2A C:ANP504 2.1 37.0 1.0
OE2 C:GLU186 2.3 31.9 1.0
OE1 C:GLU122 2.3 30.7 1.0
O C:HOH750 2.3 35.4 1.0
N3B C:ANP504 2.7 33.2 1.0
PG C:ANP504 2.9 36.3 1.0
CD C:GLU186 2.9 31.6 1.0
OE1 C:GLU186 3.0 28.5 1.0
CD C:GLU122 3.3 31.7 1.0
PA C:ANP504 3.4 36.0 1.0
O C:HOH756 3.6 36.2 1.0
MG C:MG503 3.6 30.1 1.0
O2G C:ANP504 3.7 34.3 1.0
ND2 C:ASN188 3.8 31.1 1.0
CG C:GLU122 3.8 27.3 1.0
PB C:ANP504 3.9 32.4 1.0
O1B C:ANP504 3.9 30.6 1.0
O3A C:ANP504 4.0 37.0 1.0
MG C:MG502 4.0 29.7 1.0
OD1 C:ASN188 4.0 32.9 1.0
O C:HOH604 4.1 35.9 1.0
CB C:GLU122 4.2 28.3 1.0
O1G C:ANP504 4.2 31.2 1.0
O5' C:ANP504 4.3 35.2 1.0
CG C:ASN188 4.3 31.6 1.0
CG C:GLU186 4.3 27.5 1.0
OE2 C:GLU122 4.4 36.7 1.0
O C:HOH614 4.5 38.5 1.0
O1A C:ANP504 4.5 36.6 1.0
OE2 C:GLU179 4.8 34.1 1.0
NE2 C:GLN175 4.9 35.2 1.0
OE C:MSL505 4.9 33.4 1.0

Magnesium binding site 8 out of 9 in 7cqq

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Magnesium binding site 8 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:29.7
occ:1.00
OE2 C:GLU325 2.1 33.7 1.0
O2G C:ANP504 2.2 34.3 1.0
OE1 C:GLU122 2.3 30.7 1.0
O1B C:ANP504 2.3 30.6 1.0
OE2 C:GLU122 2.3 36.7 1.0
ND1 C:HIS235 2.3 28.3 1.0
CD C:GLU122 2.6 31.7 1.0
CG C:HIS235 3.2 28.3 1.0
PG C:ANP504 3.3 36.3 1.0
CE1 C:HIS235 3.3 28.9 1.0
CD C:GLU325 3.3 28.9 1.0
CB C:HIS235 3.4 27.9 1.0
PB C:ANP504 3.5 32.4 1.0
O3G C:ANP504 3.7 32.7 1.0
NH1 C:ARG327 3.7 31.0 1.0
N3B C:ANP504 3.7 33.2 1.0
NE2 C:HIS237 3.8 33.6 1.0
O C:HOH756 4.0 36.2 1.0
MG C:MG501 4.0 33.5 1.0
CG C:GLU122 4.0 27.3 1.0
OE1 C:GLU325 4.1 30.9 1.0
CG C:GLU325 4.2 31.2 1.0
CD2 C:HIS235 4.3 29.6 1.0
NE2 C:HIS235 4.4 29.4 1.0
NH1 C:ARG317 4.4 31.6 1.0
O3A C:ANP504 4.5 37.0 1.0
CD2 C:HIS237 4.5 31.8 1.0
O2B C:ANP504 4.6 36.4 1.0
CB C:GLU122 4.6 28.3 1.0
O1G C:ANP504 4.7 31.2 1.0
O2A C:ANP504 4.7 37.0 1.0
OE C:MSL505 4.9 33.4 1.0
CA C:HIS235 4.9 31.6 1.0
CZ C:ARG327 4.9 33.0 1.0
CE1 C:HIS237 4.9 33.8 1.0
PA C:ANP504 4.9 36.0 1.0

Magnesium binding site 9 out of 9 in 7cqq

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Magnesium binding site 9 out of 9 in the Gmas in Complex with Amppnp and Metsox


Mono view


Stereo pair view

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

b:30.1
occ:1.00
OE1 C:GLU186 2.3 28.5 1.0
O C:HOH756 2.3 36.2 1.0
OE2 C:GLU124 2.4 34.9 1.0
OE2 C:GLU179 2.4 34.1 1.0
O3G C:ANP504 2.4 32.7 1.0
OE C:MSL505 2.6 33.4 1.0
CD C:GLU179 3.0 31.5 1.0
CD C:GLU124 3.3 31.2 1.0
CD C:GLU186 3.4 31.6 1.0
SD C:MSL505 3.6 32.0 1.0
MG C:MG501 3.6 33.5 1.0
OE1 C:GLU179 3.6 32.4 1.0
PG C:ANP504 3.7 36.3 1.0
O C:HOH604 3.7 35.9 1.0
CG C:GLU179 3.8 30.8 1.0
CG C:GLU124 3.8 26.9 1.0
OE2 C:GLU186 3.9 31.9 1.0
CG C:MSL505 3.9 28.8 1.0
O C:HOH614 4.0 38.5 1.0
O1G C:ANP504 4.1 31.2 1.0
O2G C:ANP504 4.2 34.3 1.0
OE1 C:GLU124 4.3 32.0 1.0
NE C:MSL505 4.3 33.3 1.0
CB C:MSL505 4.3 28.0 1.0
CE1 C:HIS235 4.4 28.9 1.0
O C:HOH750 4.5 35.4 1.0
OE1 C:GLU122 4.5 30.7 1.0
CG C:GLU186 4.6 27.5 1.0
CB C:GLU186 4.8 29.9 1.0
ND1 C:HIS235 4.8 28.3 1.0
O C:HOH621 4.9 33.0 1.0
CE C:MSL505 5.0 24.8 1.0
N3B C:ANP504 5.0 33.2 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: Tue Dec 15 03:32:33 2020

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