Magnesium in PDB 6jil: Crystal Structure of D-Cycloserine Synthetase Dcsg

Enzymatic activity of Crystal Structure of D-Cycloserine Synthetase Dcsg

All present enzymatic activity of Crystal Structure of D-Cycloserine Synthetase Dcsg:
6.3.3.5;

Protein crystallography data

The structure of Crystal Structure of D-Cycloserine Synthetase Dcsg, PDB code: 6jil was solved by Y.Matoba, M.Sugiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.76 / 2.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.450, 120.730, 102.810, 90.00, 101.01, 90.00
R / Rfree (%) 19.5 / 25.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of D-Cycloserine Synthetase Dcsg (pdb code 6jil). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Crystal Structure of D-Cycloserine Synthetase Dcsg, PDB code: 6jil:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 6jil

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Magnesium binding site 1 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:22.3
occ:1.00
O2A A:ADP403 2.2 18.5 1.0
OE2 A:GLU269 2.2 17.9 1.0
O1 A:TLA402 2.3 26.9 1.0
O A:HOH501 2.3 24.2 1.0
O1B A:ADP403 2.4 15.6 1.0
O A:HOH527 2.4 33.0 1.0
CD A:GLU269 3.3 18.5 1.0
C1 A:TLA402 3.4 27.9 1.0
NZ A:LYS202 3.7 19.3 1.0
PA A:ADP403 3.7 15.4 1.0
PB A:ADP403 3.7 15.1 1.0
OD2 A:ASP256 3.8 23.8 1.0
O3' A:ADP403 3.8 20.9 1.0
CG A:GLU269 3.8 18.3 1.0
MG A:MG405 3.9 20.4 1.0
O A:HOH554 4.0 9.3 1.0
O11 A:TLA402 4.1 25.1 1.0
OE1 A:GLU186 4.1 19.5 1.0
O2B A:ADP403 4.1 16.2 1.0
C5' A:ADP403 4.2 15.7 1.0
NH2 A:ARG254 4.3 23.5 1.0
O3A A:ADP403 4.3 18.3 1.0
C3' A:ADP403 4.4 17.9 1.0
OE1 A:GLU269 4.4 17.8 1.0
C2 A:TLA402 4.4 28.4 1.0
O5' A:ADP403 4.6 19.4 1.0
O1A A:ADP403 4.6 18.2 1.0
OE2 A:GLU271 4.6 23.1 1.0
CD1 A:LEU268 4.7 15.7 1.0
CG A:ASP256 4.7 23.4 1.0
C4' A:ADP403 4.9 17.9 1.0
O3B A:ADP403 4.9 14.5 1.0
CE A:LYS202 5.0 22.6 1.0
CD A:GLU186 5.0 20.9 1.0
OE2 A:GLU186 5.0 22.1 1.0

Magnesium binding site 2 out of 9 in 6jil

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Magnesium binding site 2 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg405

b:20.4
occ:1.00
OE2 A:GLU271 2.2 23.1 1.0
O11 A:TLA402 2.2 25.1 1.0
OE2 A:GLU269 2.3 17.9 1.0
O A:HOH526 2.3 13.5 1.0
O2B A:ADP403 2.3 16.2 1.0
OE1 A:GLU269 2.3 17.8 1.0
CD A:GLU269 2.6 18.5 1.0
O1 A:TLA402 2.9 26.9 1.0
C1 A:TLA402 2.9 27.9 1.0
CD A:GLU271 3.1 22.8 1.0
PB A:ADP403 3.5 15.1 1.0
O1B A:ADP403 3.5 15.6 1.0
CG A:GLU271 3.8 22.7 1.0
MG A:MG404 3.9 22.3 1.0
O A:HOH636 4.0 25.1 1.0
OE1 A:GLU271 4.0 24.6 1.0
O A:HOH523 4.1 27.2 1.0
CG A:GLU269 4.1 18.3 1.0
NZ A:LYS92 4.1 15.1 1.0
CB A:CYS142 4.2 20.0 1.0
CA A:CYS142 4.2 19.3 1.0
C2 A:TLA402 4.3 28.4 1.0
NH2 A:ARG254 4.3 23.5 1.0
O3B A:ADP403 4.4 14.5 1.0
O A:GLY141 4.5 19.1 1.0
O3A A:ADP403 4.6 18.3 1.0
O2A A:ADP403 4.6 18.5 1.0
C3 A:TLA402 4.7 31.3 1.0
N A:TYR143 4.7 18.6 1.0
O A:HOH510 4.7 13.8 1.0
O2 A:TLA402 4.8 24.7 1.0
O3 A:TLA402 4.9 31.9 1.0
CB A:GLU269 5.0 18.7 1.0

Magnesium binding site 3 out of 9 in 6jil

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Magnesium binding site 3 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg405

b:19.4
occ:1.00
O2A B:ADP404 2.2 16.1 1.0
OE2 B:GLU269 2.2 19.8 1.0
O1 B:TLA403 2.3 27.4 1.0
O1B B:ADP404 2.3 14.1 1.0
O B:HOH512 2.3 11.9 1.0
O B:HOH504 2.4 23.8 1.0
CD B:GLU269 3.3 20.1 1.0
C1 B:TLA403 3.4 31.2 1.0
OD2 B:ASP256 3.6 22.9 1.0
NZ B:LYS202 3.7 20.2 1.0
PA B:ADP404 3.7 13.4 1.0
PB B:ADP404 3.7 13.6 1.0
CG B:GLU269 3.8 15.7 1.0
O3' B:ADP404 3.9 13.7 1.0
O B:HOH580 4.0 24.3 1.0
NH2 B:ARG254 4.0 22.7 1.0
O11 B:TLA403 4.0 26.9 1.0
MG B:MG406 4.1 24.5 1.0
C5' B:ADP404 4.2 13.8 1.0
O2B B:ADP404 4.3 15.9 1.0
O3A B:ADP404 4.3 16.6 1.0
OE1 B:GLU269 4.4 21.6 1.0
CD1 B:LEU268 4.4 15.1 1.0
C3' B:ADP404 4.4 14.4 1.0
OE2 B:GLU186 4.4 22.4 1.0
CE B:LYS202 4.5 19.1 1.0
O5' B:ADP404 4.6 15.7 1.0
C2 B:TLA403 4.6 33.3 1.0
O1A B:ADP404 4.6 19.4 1.0
OE1 B:GLU186 4.7 23.9 1.0
CG B:ASP256 4.8 21.9 1.0
O3B B:ADP404 4.9 15.5 1.0
C4' B:ADP404 4.9 13.4 1.0
CB B:GLU269 4.9 13.8 1.0
OE2 B:GLU271 5.0 21.6 1.0

Magnesium binding site 4 out of 9 in 6jil

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Magnesium binding site 4 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg406

b:24.5
occ:1.00
O11 B:TLA403 2.3 26.9 1.0
OE1 B:GLU269 2.3 21.6 1.0
OE2 B:GLU269 2.3 19.8 1.0
OE2 B:GLU271 2.3 21.6 1.0
O B:HOH521 2.4 23.7 1.0
O2B B:ADP404 2.5 15.9 1.0
CD B:GLU269 2.6 20.1 1.0
C1 B:TLA403 3.2 31.2 1.0
CD B:GLU271 3.3 23.0 1.0
O1 B:TLA403 3.4 27.4 1.0
PB B:ADP404 3.6 13.6 1.0
O B:HOH501 3.6 17.8 1.0
O1B B:ADP404 3.6 14.1 1.0
CG B:GLU271 3.7 22.7 1.0
NZ B:LYS92 3.9 12.8 1.0
MG B:MG405 4.1 19.4 1.0
CG B:GLU269 4.2 15.7 1.0
CB B:CYS142 4.2 16.0 1.0
O B:HOH616 4.2 18.3 1.0
CA B:CYS142 4.3 16.7 1.0
NH2 B:ARG254 4.3 22.7 1.0
OE1 B:GLU271 4.4 24.7 1.0
C2 B:TLA403 4.5 33.3 1.0
O B:GLY141 4.5 16.7 1.0
O3A B:ADP404 4.6 16.6 1.0
O B:HOH540 4.7 27.7 1.0
O3B B:ADP404 4.7 15.5 1.0
O2A B:ADP404 4.8 16.1 1.0
O2 B:TLA403 4.8 34.5 1.0
C3 B:TLA403 4.9 34.9 1.0
CE B:LYS92 4.9 10.8 1.0
N B:TYR143 4.9 14.5 1.0
O3 B:TLA403 4.9 34.0 1.0
O B:HOH556 4.9 18.1 1.0
CB B:GLU269 5.0 13.8 1.0

Magnesium binding site 5 out of 9 in 6jil

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Magnesium binding site 5 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg405

b:29.4
occ:1.00
O2A C:ADP404 2.2 24.6 1.0
O1 C:TLA403 2.3 34.0 1.0
O3B C:ADP404 2.3 22.0 1.0
O C:HOH501 2.4 22.4 1.0
OE2 C:GLU269 2.4 20.8 1.0
O C:HOH570 2.5 63.1 1.0
C1 C:TLA403 3.3 36.3 1.0
NZ C:LYS202 3.4 20.4 1.0
O3' C:ADP404 3.4 22.7 1.0
O C:HOH548 3.5 19.0 1.0
CD C:GLU269 3.6 19.6 1.0
PA C:ADP404 3.6 21.6 1.0
PB C:ADP404 3.7 21.2 1.0
C5' C:ADP404 3.8 20.4 1.0
O11 C:TLA403 3.9 33.5 1.0
C3' C:ADP404 4.1 23.2 1.0
OE1 C:GLU186 4.2 29.7 1.0
MG C:MG406 4.2 28.7 1.0
O1B C:ADP404 4.2 19.4 1.0
O5' C:ADP404 4.3 21.9 1.0
CG C:GLU269 4.3 21.6 1.0
O3A C:ADP404 4.3 25.2 1.0
OD2 C:ASP256 4.4 25.3 1.0
C4' C:ADP404 4.4 23.5 1.0
C2 C:TLA403 4.4 37.9 1.0
OE2 C:GLU186 4.5 32.1 1.0
CE C:LYS202 4.6 22.5 1.0
OE1 C:GLU269 4.6 20.3 1.0
NH2 C:ARG254 4.7 25.1 1.0
O1A C:ADP404 4.7 27.0 1.0
CD C:LYS202 4.7 21.3 1.0
CD1 C:LEU268 4.7 15.9 1.0
CD C:GLU186 4.8 30.5 1.0
O2B C:ADP404 4.9 21.5 1.0
C3 C:TLA403 5.0 40.8 1.0

Magnesium binding site 6 out of 9 in 6jil

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Magnesium binding site 6 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg406

b:28.7
occ:1.00
OE1 C:GLU269 2.2 20.3 1.0
OE2 C:GLU271 2.2 32.5 1.0
O11 C:TLA403 2.3 33.5 1.0
OE2 C:GLU269 2.4 20.8 1.0
O1B C:ADP404 2.4 19.4 1.0
O C:HOH562 2.4 17.2 1.0
CD C:GLU269 2.6 19.6 1.0
C1 C:TLA403 2.9 36.3 1.0
O1 C:TLA403 2.9 34.0 1.0
CD C:GLU271 3.1 32.1 1.0
PB C:ADP404 3.6 21.2 1.0
O3B C:ADP404 3.6 22.0 1.0
CG C:GLU271 3.6 30.7 1.0
NH2 C:ARG254 4.0 25.1 1.0
CG C:GLU269 4.0 21.6 1.0
OE1 C:GLU271 4.1 33.4 1.0
C2 C:TLA403 4.1 37.9 1.0
O C:HOH538 4.1 15.6 1.0
MG C:MG405 4.2 29.4 1.0
CB C:CYS142 4.3 20.1 1.0
CA C:CYS142 4.4 20.4 1.0
C3 C:TLA403 4.4 40.8 1.0
O2B C:ADP404 4.5 21.5 1.0
O2A C:ADP404 4.5 24.6 1.0
O3 C:TLA403 4.5 39.6 1.0
O2 C:TLA403 4.5 35.9 1.0
NZ C:LYS92 4.7 18.4 1.0
N C:TYR143 4.7 19.9 1.0
O3A C:ADP404 4.7 25.2 1.0
O C:HOH504 4.7 24.0 1.0
O C:GLY141 4.8 23.5 1.0
CE C:LYS92 4.9 17.7 1.0
CB C:GLU269 5.0 21.4 1.0

Magnesium binding site 7 out of 9 in 6jil

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Magnesium binding site 7 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg404

b:22.3
occ:1.00
OE2 D:GLU269 2.2 26.3 1.0
O D:HOH502 2.2 16.5 1.0
O11 D:TLA402 2.3 33.6 1.0
O3B D:ADP403 2.3 16.7 1.0
O2A D:ADP403 2.3 18.1 1.0
O D:HOH505 2.4 14.3 1.0
C1 D:TLA402 3.1 40.3 1.0
O1 D:TLA402 3.2 37.0 1.0
CD D:GLU269 3.4 26.4 1.0
NZ D:LYS202 3.5 17.5 1.0
OD2 D:ASP256 3.6 27.5 1.0
PB D:ADP403 3.7 17.0 1.0
O D:HOH542 3.8 17.2 1.0
PA D:ADP403 3.8 12.9 1.0
OE1 D:GLU269 3.9 31.5 1.0
NH2 D:ARG254 3.9 29.3 1.0
O2B D:ADP403 4.1 14.9 1.0
O3' D:ADP403 4.2 16.2 1.0
O3A D:ADP403 4.4 18.1 1.0
C5' D:ADP403 4.4 15.3 1.0
C2 D:TLA402 4.5 42.0 1.0
CG D:GLU269 4.6 25.0 1.0
CB D:GLU269 4.6 19.4 1.0
O1A D:ADP403 4.7 18.8 1.0
CG D:ASP256 4.7 25.4 1.0
OE1 D:GLU186 4.8 25.2 1.0
O5' D:ADP403 4.8 17.4 1.0
C3' D:ADP403 4.8 18.6 1.0
OE2 D:GLU271 4.8 34.1 1.0
O1B D:ADP403 4.8 17.8 1.0
OE2 D:GLU186 4.8 26.2 1.0
CE D:LYS202 4.9 17.0 1.0

Magnesium binding site 8 out of 9 in 6jil

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Magnesium binding site 8 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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 D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg405

b:34.5
occ:1.00
OE1 D:GLU269 2.3 31.5 1.0
OE2 D:GLU271 2.4 34.1 1.0
O2B D:ADP403 2.7 14.9 1.0
O1 D:TLA402 3.0 37.0 1.0
O D:GLY141 3.2 24.1 1.0
CB D:CYS142 3.2 22.8 1.0
O D:HOH545 3.4 24.9 1.0
CA D:CYS142 3.4 21.8 1.0
CD D:GLU271 3.5 30.9 1.0
CD D:GLU269 3.6 26.4 1.0
NZ D:LYS92 3.7 16.6 1.0
O D:HOH560 3.8 16.0 1.0
C D:GLY141 4.1 24.2 1.0
N D:CYS142 4.2 22.9 1.0
PB D:ADP403 4.2 17.0 1.0
O3 D:TLA402 4.3 47.8 1.0
C1 D:TLA402 4.3 40.3 1.0
MG D:MG406 4.3 33.3 1.0
OE2 D:GLU269 4.3 26.3 1.0
CG D:GLU271 4.3 28.9 1.0
OE1 D:GLU271 4.3 32.6 1.0
C3 D:TLA402 4.4 44.7 1.0
CG D:GLU269 4.6 25.0 1.0
O D:HOH533 4.6 19.0 1.0
C D:CYS142 4.6 21.4 1.0
N D:TYR143 4.7 20.7 1.0
O3B D:ADP403 4.8 16.7 1.0
O1B D:ADP403 4.9 17.8 1.0
SG D:CYS142 4.9 25.0 1.0
CE D:LYS92 5.0 15.1 1.0
C2 D:TLA402 5.0 42.0 1.0

Magnesium binding site 9 out of 9 in 6jil

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Magnesium binding site 9 out of 9 in the Crystal Structure of D-Cycloserine Synthetase Dcsg


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 D-Cycloserine Synthetase Dcsg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg406

b:33.3
occ:1.00
OE2 D:GLU274 2.4 27.0 1.0
O41 D:TLA402 2.4 43.4 1.0
OE1 D:GLU271 2.5 32.6 1.0
O D:GLU274 2.9 21.5 1.0
CD D:GLU274 3.2 24.2 1.0
CD D:GLU271 3.2 30.9 1.0
C4 D:TLA402 3.2 45.9 1.0
C3 D:TLA402 3.3 44.7 1.0
OE1 D:GLU274 3.3 25.0 1.0
OE2 D:GLU271 3.3 34.1 1.0
NE1 D:TRP57 3.4 15.8 1.0
O3 D:TLA402 3.7 47.8 1.0
C D:GLU274 3.8 22.3 1.0
CD1 D:TRP57 3.9 15.8 1.0
CA D:PRO275 4.2 23.0 1.0
CE2 D:TRP57 4.2 13.4 1.0
MG D:MG405 4.3 34.5 1.0
N D:PRO275 4.4 22.5 1.0
O4 D:TLA402 4.4 44.8 1.0
CB D:CYS142 4.4 22.8 1.0
CG D:GLU271 4.4 28.9 1.0
CG D:GLU274 4.5 24.1 1.0
N D:SER276 4.6 22.4 1.0
C2 D:TLA402 4.6 42.0 1.0
C D:PRO275 4.7 23.2 1.0
CB D:GLU271 4.7 25.0 1.0
CZ2 D:TRP57 4.7 13.4 1.0
CG D:TRP57 4.8 15.9 1.0
SG D:CYS142 4.8 25.0 1.0
O1 D:TLA402 4.9 37.0 1.0
CA D:GLU274 4.9 22.0 1.0
CB D:GLU274 4.9 21.6 1.0
CD2 D:TRP57 5.0 13.7 1.0

Reference:

Y.Matoba, N.Uda, M.Kudo, M.Sugiyama. Cyclization Mechanism Catalyzed By An Atp-Grasp Enzyme Essential For D-Cycloserine Biosynthesis. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31793174
DOI: 10.1111/FEBS.15163
Page generated: Mon Dec 14 23:01:06 2020

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