Atomistry » Magnesium » PDB 2ppq-2q0e » 2ps2
Atomistry »
  Magnesium »
    PDB 2ppq-2q0e »
      2ps2 »

Magnesium in PDB 2ps2: Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae

Protein crystallography data

The structure of Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae, PDB code: 2ps2 was solved by A.A.Fedorov, R.Toro, E.V.Fedorov, J.M.Sauder, S.K.Burley, S.C.Almo, Newyork Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.77 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.865, 94.865, 330.673, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 20.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae (pdb code 2ps2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae, PDB code: 2ps2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2ps2

Go back to Magnesium Binding Sites List in 2ps2
Magnesium binding site 1 out of 4 in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:19.2
occ:1.00
O A:HOH605 2.0 16.5 1.0
O A:HOH607 2.0 24.8 1.0
OD2 A:ASP196 2.2 18.3 1.0
OE2 A:GLU222 2.2 20.2 1.0
OD2 A:ASP245 2.2 15.5 1.0
O A:HOH606 2.3 21.4 1.0
CG A:ASP196 3.1 18.3 1.0
CG A:ASP245 3.2 17.9 1.0
CD A:GLU222 3.3 21.4 1.0
OD1 A:ASP196 3.4 19.7 1.0
CB A:ASP245 3.6 16.7 1.0
OD2 A:ASP267 3.6 18.3 1.0
CG A:GLU222 3.8 17.6 1.0
O A:HOH542 3.8 30.3 1.0
ND2 A:ASN198 4.0 23.6 1.0
NZ A:LYS269 4.0 25.0 1.0
OE1 A:GLU246 4.1 20.8 1.0
OH A:TYR60 4.1 41.3 1.0
OE1 A:GLU222 4.3 21.3 1.0
OD1 A:ASP245 4.3 17.6 1.0
CB A:ASP196 4.4 16.8 1.0
CE A:LYS269 4.6 22.9 1.0
CG A:ASP267 4.6 18.6 1.0
CB A:GLU222 4.9 16.4 1.0
CB A:ASP267 4.9 15.3 1.0
CG A:ASN198 5.0 25.8 1.0

Magnesium binding site 2 out of 4 in 2ps2

Go back to Magnesium Binding Sites List in 2ps2
Magnesium binding site 2 out of 4 in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:23.6
occ:1.00
O B:HOH567 1.8 24.1 1.0
O B:HOH568 2.0 18.9 1.0
OD2 B:ASP245 2.1 16.4 1.0
OE2 B:GLU222 2.2 19.4 1.0
O B:HOH566 2.2 22.3 1.0
OD2 B:ASP196 2.3 20.8 1.0
CG B:ASP245 3.1 17.5 1.0
CG B:ASP196 3.2 21.0 1.0
CD B:GLU222 3.3 19.8 1.0
OD2 B:ASP267 3.5 18.2 1.0
OD1 B:ASP196 3.5 20.2 1.0
CB B:ASP245 3.5 16.6 1.0
NZ B:LYS269 3.7 25.9 1.0
CG B:GLU222 3.9 16.8 1.0
O B:HOH501 4.0 34.5 1.0
ND2 B:ASN198 4.1 26.8 1.0
OE1 B:GLU246 4.1 22.9 1.0
OD1 B:ASP245 4.2 17.3 1.0
OE1 B:GLU222 4.3 21.6 1.0
CE B:LYS269 4.3 23.4 1.0
CG B:ASP267 4.4 16.9 1.0
CB B:ASP196 4.6 18.7 1.0
CB B:ASP267 4.9 14.7 1.0
CB B:GLU222 4.9 16.5 1.0
CD B:GLU246 5.0 26.3 1.0

Magnesium binding site 3 out of 4 in 2ps2

Go back to Magnesium Binding Sites List in 2ps2
Magnesium binding site 3 out of 4 in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:23.3
occ:1.00
O C:HOH622 2.0 27.1 1.0
OD2 C:ASP196 2.0 18.8 1.0
O C:HOH623 2.1 21.4 1.0
O C:HOH621 2.2 17.3 1.0
OE2 C:GLU222 2.3 21.8 1.0
OD2 C:ASP245 2.3 17.4 1.0
CG C:ASP196 3.0 19.5 1.0
CG C:ASP245 3.3 18.8 1.0
CD C:GLU222 3.3 17.9 1.0
OD1 C:ASP196 3.4 17.2 1.0
OD2 C:ASP267 3.7 17.2 1.0
O C:HOH535 3.7 27.3 1.0
CB C:ASP245 3.8 16.8 1.0
CG C:GLU222 3.9 17.4 1.0
NZ C:LYS269 3.9 29.8 1.0
ND2 C:ASN198 4.1 26.8 1.0
OE1 C:GLU246 4.3 22.1 1.0
OE1 C:GLU222 4.3 20.2 1.0
CB C:ASP196 4.3 18.5 1.0
OE2 C:GLU246 4.4 29.1 1.0
OD1 C:ASP245 4.4 17.6 1.0
CE C:LYS269 4.5 26.3 1.0
CG C:ASP267 4.6 17.9 1.0
CD C:GLU246 4.8 23.6 1.0
CB C:GLU222 4.8 15.8 1.0
CG C:ASN198 5.0 26.2 1.0

Magnesium binding site 4 out of 4 in 2ps2

Go back to Magnesium Binding Sites List in 2ps2
Magnesium binding site 4 out of 4 in the Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg401

b:25.0
occ:1.00
O D:HOH595 1.8 28.7 1.0
OE2 D:GLU222 2.2 22.1 1.0
O D:HOH596 2.2 27.2 1.0
OD2 D:ASP196 2.2 24.0 1.0
O D:HOH594 2.3 22.1 1.0
OD2 D:ASP245 2.3 18.3 1.0
CG D:ASP196 3.1 21.3 1.0
CD D:GLU222 3.2 23.2 1.0
CG D:ASP245 3.3 17.3 1.0
OD2 D:ASP267 3.4 21.5 1.0
OD1 D:ASP196 3.5 19.6 1.0
CB D:ASP245 3.7 16.6 1.0
O D:HOH524 3.8 30.4 1.0
CG D:GLU222 3.8 19.2 1.0
NZ D:LYS269 3.8 29.6 1.0
OE1 D:GLU222 4.2 25.6 1.0
CG D:ASP267 4.4 20.9 1.0
CB D:ASP196 4.4 18.0 1.0
ND2 D:ASN198 4.4 27.3 1.0
OD1 D:ASP245 4.4 19.2 1.0
OE1 D:GLU246 4.5 21.4 1.0
OE2 D:GLU246 4.6 31.8 1.0
CB D:GLU222 4.8 17.9 1.0
CB D:ASP267 4.8 17.8 1.0
O D:HOH589 4.8 34.6 1.0
CE D:LYS269 4.9 24.4 1.0
O D:HOH567 5.0 38.4 1.0

Reference:

A.A.Fedorov, R.Toro, E.V.Fedorov, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Mandelate Racemase/Muconate Lactonizing Enzyme From Aspergillus Oryzae. To Be Published.
Page generated: Wed Aug 14 02:15:58 2024

Last articles

Ni in 5LY2
Ni in 5LY1
Ni in 5LTW
Ni in 5MDJ
Ni in 5LHS
Ni in 5LRY
Ni in 5LMM
Ni in 5LN5
Ni in 5JSY
Ni in 5LU3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy