Atomistry » Magnesium » PDB 4a35-4aas » 4a6g
Atomistry »
  Magnesium »
    PDB 4a35-4aas »
      4a6g »

Magnesium in PDB 4a6g: N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine

Enzymatic activity of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine

All present enzymatic activity of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine:
4.2.1.113;

Protein crystallography data

The structure of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine, PDB code: 4a6g was solved by S.Baxter, S.Royer, G.Grogan, K.E.Holt-Tiffin, I.N.Taylor, I.G.Fotheringham, D.J.Campopiano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.31 / 2.71
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 216.710, 216.710, 261.100, 90.00, 90.00, 120.00
R / Rfree (%) 15.535 / 21.012

Magnesium Binding Sites:

The binding sites of Magnesium atom in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine (pdb code 4a6g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine, PDB code: 4a6g:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4a6g

Go back to Magnesium Binding Sites List in 4a6g
Magnesium binding site 1 out of 4 in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1370

b:73.9
occ:1.00
 OE2 A:GLU214 2.3 59.0 1.0
O A:HOH2065 2.4 43.0 1.0
O A:AME1369 2.4 68.0 1.0
OD2 A:ASP189 2.5 42.1 1.0
OD2 A:ASP239 2.5 43.6 1.0
OXT A:AME1369 2.7 50.5 1.0
C A:AME1369 2.9 56.9 1.0
CD A:GLU214 3.1 58.1 1.0
CG A:ASP189 3.3 44.1 1.0
OD1 A:ASP189 3.5 45.6 1.0
CG A:ASP239 3.6 40.5 1.0
OE1 A:GLU214 3.7 58.0 1.0
OD1 A:ASN191 3.8 64.8 1.0
NZ A:LYS161 3.9 35.5 1.0
NZ A:LYS163 3.9 49.4 1.0
CB A:ASP239 4.0 35.7 1.0
CG A:GLU214 4.0 47.2 1.0
NZ A:LYS263 4.2 32.1 1.0
ND2 A:ASN261 4.4 44.5 1.0
OE1 A:GLU240 4.4 46.6 1.0
O A:HOH2061 4.4 53.1 1.0
CG A:ASN191 4.4 57.7 1.0
CA A:AME1369 4.4 61.5 1.0
ND2 A:ASN191 4.5 51.7 1.0
CB A:ASP189 4.6 38.3 1.0
OD1 A:ASP239 4.7 47.4 1.0
CE A:LYS161 4.7 34.8 1.0
N A:AME1369 4.7 64.2 1.0
CE A:LYS263 4.9 31.1 1.0
CB A:GLU214 5.0 38.6 1.0

Magnesium binding site 2 out of 4 in 4a6g

Go back to Magnesium Binding Sites List in 4a6g
Magnesium binding site 2 out of 4 in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1369

b:63.8
occ:1.00
 OE2 B:GLU214 2.0 49.6 1.0
OD2 B:ASP239 2.4 56.9 1.0
OD2 B:ASP189 2.4 51.1 1.0
O B:HOH2044 2.5 41.7 1.0
OXT B:AME1368 2.7 60.2 1.0
O B:AME1368 2.8 62.1 1.0
CD B:GLU214 2.8 54.6 1.0
C B:AME1368 3.1 58.5 1.0
CG B:ASP189 3.2 50.5 1.0
CG B:ASP239 3.3 52.8 1.0
OD1 B:ASP189 3.5 48.1 1.0
CB B:ASP239 3.6 42.5 1.0
OE1 B:GLU214 3.6 52.5 1.0
CG B:GLU214 3.6 51.5 1.0
OD1 B:ASN191 3.9 56.9 1.0
NZ B:LYS161 4.0 43.6 1.0
OE1 B:GLU240 4.2 44.1 1.0
NZ B:LYS263 4.2 46.2 1.0
O B:HOH2041 4.4 52.9 1.0
ND2 B:ASN261 4.4 51.2 1.0
NZ B:LYS163 4.4 42.7 1.0
OD1 B:ASP239 4.4 52.6 1.0
CB B:ASP189 4.6 40.1 1.0
CG B:ASN191 4.6 49.2 1.0
CE B:LYS263 4.6 39.2 1.0
CA B:AME1368 4.6 57.1 1.0
CE B:LYS161 4.7 44.3 1.0
ND2 B:ASN191 4.7 38.5 1.0
CB B:GLU214 4.8 46.0 1.0
CD B:GLU240 5.0 42.1 1.0

Magnesium binding site 3 out of 4 in 4a6g

Go back to Magnesium Binding Sites List in 4a6g
Magnesium binding site 3 out of 4 in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1369

b:55.9
occ:1.00
 O C:HOH2031 1.8 53.5 1.0
OD2 C:ASP239 2.3 53.4 1.0
O C:AME1368 2.7 62.7 1.0
OE2 C:GLU214 2.8 52.2 1.0
OD2 C:ASP189 2.9 43.4 1.0
OXT C:AME1368 3.0 76.0 1.0
C C:AME1368 3.3 67.3 1.0
CG C:ASP239 3.3 47.1 1.0
OD1 C:ASN191 3.3 52.5 1.0
CD C:GLU214 3.4 54.7 1.0
OD1 C:ASP189 3.4 55.1 1.0
OE1 C:GLU240 3.4 53.1 1.0
CG C:ASP189 3.4 49.5 1.0
CB C:ASP239 3.6 42.1 1.0
CG C:GLU214 3.9 46.8 1.0
CG C:ASN191 4.1 51.1 1.0
NZ C:LYS263 4.1 40.6 1.0
OE1 C:GLU214 4.2 65.8 1.0
NZ C:LYS163 4.3 49.6 1.0
OD1 C:ASP239 4.4 45.1 1.0
CD C:GLU240 4.4 47.5 1.0
ND2 C:ASN191 4.6 51.8 1.0
OE2 C:GLU240 4.6 44.1 1.0
NZ C:LYS161 4.6 48.7 1.0
CA C:AME1368 4.7 64.1 1.0
ND2 C:ASN261 4.7 40.8 1.0
CB C:ASP189 4.8 45.8 1.0
CE1 C:TYR55 4.8 50.1 1.0
CB C:GLU214 4.9 41.9 1.0
CA C:ASN191 4.9 51.0 1.0

Magnesium binding site 4 out of 4 in 4a6g

Go back to Magnesium Binding Sites List in 4a6g
Magnesium binding site 4 out of 4 in the N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of N-Acyl Amino Acid Racemase From Amycalotopsis Sp. Ts-1-60: G291D-F323Y Mutant in Complex with N-Acetyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1369

b:62.8
occ:1.00
 O D:HOH2035 2.1 52.5 1.0
OD2 D:ASP189 2.4 51.8 1.0
OD2 D:ASP239 2.4 47.2 1.0
OE2 D:GLU214 2.6 47.1 1.0
O D:AME1368 2.6 72.7 1.0
OXT D:AME1368 3.0 64.7 1.0
C D:AME1368 3.2 68.9 1.0
CG D:ASP189 3.2 48.7 1.0
CD D:GLU214 3.2 49.3 1.0
OD1 D:ASP189 3.4 47.5 1.0
OD1 D:ASN191 3.4 50.0 1.0
CG D:ASP239 3.5 49.3 1.0
NZ D:LYS263 3.6 43.9 1.0
CG D:GLU214 3.8 43.1 1.0
OE2 D:GLU240 3.9 52.9 1.0
CB D:ASP239 3.9 45.0 1.0
OE1 D:GLU214 4.0 44.0 1.0
CG D:ASN191 4.0 50.8 1.0
NZ D:LYS163 4.1 47.8 1.0
NZ D:LYS161 4.2 47.0 1.0
ND2 D:ASN191 4.2 50.0 1.0
OD1 D:ASP239 4.5 44.9 1.0
CB D:ASP189 4.6 44.0 1.0
CA D:AME1368 4.7 64.7 1.0
ND2 D:ASN261 4.7 54.0 1.0
CE D:LYS161 4.8 43.4 1.0
CE D:LYS263 4.9 46.8 1.0
O D:HOH2030 4.9 41.0 1.0
CD D:GLU240 4.9 54.0 1.0
CB D:GLU214 5.0 36.9 1.0

Reference:

S.Baxter, S.Royer, G.Grogan, F.Brown, K.E.Holt-Tiffin, I.N.Taylor, I.G.Fotheringham, D.J.Campopiano. An Improved Racemase/Acylase Biotransformation For the Preparation of Enantiomerically Pure Amino Acids. J.Am.Chem.Soc. V. 134 19310 2012.
ISSN: ISSN 0002-7863
PubMed: 23130969
DOI: 10.1021/JA305438Y
Page generated: Mon Aug 11 05:33:21 2025

Last articles

Mg in 4DPG
Mg in 4DQP
Mg in 4DQQ
Mg in 4DPM
Mg in 4DPV
Mg in 4DQI
Mg in 4DOB
Mg in 4DOC
Mg in 4DMZ
Mg in 4DOA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy