Atomistry » Barium » PDB 1djh-2x6b » 2qde
Atomistry »
  Barium »
    PDB 1djh-2x6b »
      2qde »

Barium in PDB 2qde: Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1

Protein crystallography data

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1, PDB code: 2qde was solved by R.Agarwal, S.K.Burley, S.Swaminathan, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.14 / 1.93
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 119.063, 114.588, 146.229, 90.00, 101.45, 90.00
R / Rfree (%) 19.7 / 22.5

Barium Binding Sites:

The binding sites of Barium atom in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 (pdb code 2qde). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 8 binding sites of Barium where determined in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1, PDB code: 2qde:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Barium binding site 1 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 1 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba401

b:50.2
occ:1.00
OD2 A:ASP246 2.7 20.0 1.0
OD2 A:ASP195 2.7 21.7 1.0
OE2 A:GLU221 2.8 18.7 1.0
OD1 A:ASN197 2.8 23.6 1.0
OD1 A:ASP195 3.1 18.8 1.0
CG A:ASP195 3.3 19.6 1.0
OE1 A:GLU247 3.4 20.7 1.0
OE2 A:GLU247 3.5 23.2 1.0
CG A:ASP246 3.7 19.9 1.0
CD A:GLU221 3.8 20.9 1.0
CD A:GLU247 3.8 21.8 1.0
CG A:ASN197 3.9 25.1 1.0
CB A:ASP246 4.0 18.3 1.0
CG A:GLU221 4.4 16.7 1.0
CA A:ASN197 4.4 22.6 1.0
CE1 A:TYR57 4.5 16.5 1.0
NZ A:LYS165 4.6 21.9 1.0
NZ A:LYS270 4.7 29.8 1.0
OE1 A:GLU221 4.7 20.6 1.0
N A:ASN197 4.8 20.6 1.0
CB A:ASN197 4.8 22.7 1.0
OD1 A:ASP246 4.8 19.4 1.0
CB A:ASP195 4.8 18.6 1.0
ND2 A:ASN197 4.8 26.3 1.0
CD1 A:TYR57 4.9 17.4 1.0

Barium binding site 2 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 2 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba401

b:47.3
occ:1.00
OD2 B:ASP246 2.8 18.0 1.0
OD2 B:ASP195 2.8 26.2 1.0
OE2 B:GLU221 2.9 26.7 1.0
OD1 B:ASN197 2.9 27.9 1.0
O B:HOH481 3.1 36.4 1.0
OD1 B:ASP195 3.1 25.0 1.0
CG B:ASP195 3.4 25.8 1.0
OE1 B:GLU247 3.5 26.0 1.0
OE2 B:GLU247 3.5 27.0 1.0
CG B:ASP246 3.7 19.1 1.0
CD B:GLU221 3.8 26.1 1.0
CD B:GLU247 3.8 26.0 1.0
CB B:ASP246 4.0 17.3 1.0
CG B:ASN197 4.0 27.7 1.0
CG B:GLU221 4.3 24.1 1.0
CA B:ASN197 4.4 23.3 1.0
CE1 B:TYR57 4.6 17.8 1.0
NZ B:LYS270 4.7 29.4 1.0
N B:ASN197 4.7 22.3 1.0
OE1 B:GLU221 4.8 26.5 1.0
CB B:ASN197 4.8 24.7 1.0
OD1 B:ASP246 4.8 18.4 1.0
CB B:ASP195 4.9 24.1 1.0
NZ B:LYS165 4.9 28.4 1.0
CD1 B:TYR57 5.0 18.5 1.0

Barium binding site 3 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 3 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ba401

b:66.5
occ:1.00
OD2 C:ASP195 2.8 24.8 1.0
OE2 C:GLU221 2.8 20.5 1.0
OD2 C:ASP246 2.8 16.7 1.0
OD1 C:ASN197 2.9 26.3 1.0
OD1 C:ASP195 3.1 21.5 1.0
CG C:ASP195 3.3 23.3 1.0
OE1 C:GLU247 3.5 19.0 1.0
OE2 C:GLU247 3.5 23.9 1.0
CG C:ASP246 3.6 18.4 1.0
CD C:GLU247 3.8 21.2 1.0
CD C:GLU221 3.8 22.1 1.0
CB C:ASP246 3.9 17.2 1.0
CG C:ASN197 4.0 26.0 1.0
O C:HOH553 4.4 40.6 1.0
CA C:ASN197 4.5 23.8 1.0
CG C:GLU221 4.6 19.7 1.0
CE1 C:TYR57 4.6 18.5 1.0
OD1 C:ASP246 4.6 18.2 1.0
OE1 C:GLU221 4.7 24.2 1.0
N C:ASN197 4.8 19.4 1.0
CB C:ASN197 4.8 24.2 1.0
CB C:ASP195 4.8 22.9 1.0
NZ C:LYS270 4.8 26.8 1.0
NZ C:LYS165 4.8 24.5 1.0
ND2 C:ASN197 5.0 28.1 1.0

Barium binding site 4 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 4 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ba401

b:38.4
occ:1.00
OD1 D:ASN197 2.8 21.6 1.0
OD2 D:ASP195 2.8 17.3 1.0
OD2 D:ASP246 2.9 15.9 1.0
OE2 D:GLU221 2.9 18.8 1.0
O D:HOH512 3.0 30.7 1.0
OD1 D:ASP195 3.1 13.4 1.0
OE2 D:GLU247 3.3 21.9 1.0
CG D:ASP195 3.3 16.0 1.0
OE1 D:GLU247 3.4 19.1 1.0
CD D:GLU247 3.7 19.5 1.0
CG D:ASP246 3.7 17.8 1.0
CD D:GLU221 3.8 18.2 1.0
CG D:ASN197 3.9 24.1 1.0
CB D:ASP246 4.0 14.8 1.0
CA D:ASN197 4.4 20.8 1.0
CE1 D:TYR57 4.4 16.2 1.0
CG D:GLU221 4.5 15.1 1.0
O D:HOH587 4.6 36.6 1.0
OE1 D:GLU221 4.7 19.1 1.0
CB D:ASN197 4.7 22.4 1.0
N D:ASN197 4.7 16.8 1.0
ND2 D:ASN197 4.7 26.8 1.0
NZ D:LYS165 4.7 25.7 1.0
OD1 D:ASP246 4.8 16.3 1.0
CD1 D:TYR57 4.8 15.9 1.0
CB D:ASP195 4.8 16.0 1.0
NZ D:LYS270 4.9 28.3 1.0

Barium binding site 5 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 5 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ba401

b:42.4
occ:1.00
OE2 E:GLU221 2.7 16.6 1.0
OD2 E:ASP246 2.7 13.9 1.0
OD2 E:ASP195 2.8 20.0 1.0
OD1 E:ASN197 2.8 22.8 1.0
OD1 E:ASP195 3.1 17.7 1.0
CG E:ASP195 3.3 16.7 1.0
OE1 E:GLU247 3.4 19.2 1.0
OE2 E:GLU247 3.4 23.4 1.0
CG E:ASP246 3.7 15.6 1.0
CD E:GLU247 3.8 23.2 1.0
CD E:GLU221 3.8 18.9 1.0
CG E:ASN197 3.9 21.0 1.0
CB E:ASP246 4.0 13.7 1.0
O E:HOH527 4.3 38.3 1.0
CA E:ASN197 4.4 17.7 1.0
CE1 E:TYR57 4.4 13.5 1.0
CG E:GLU221 4.5 16.6 1.0
OE1 E:GLU221 4.6 19.9 1.0
N E:ASN197 4.7 15.7 1.0
CB E:ASN197 4.7 18.7 1.0
NZ E:LYS270 4.7 26.2 1.0
OD1 E:ASP246 4.8 16.6 1.0
CB E:ASP195 4.8 16.3 1.0
NZ E:LYS165 4.9 24.3 1.0
CD1 E:TYR57 4.9 13.0 1.0
ND2 E:ASN197 4.9 23.9 1.0

Barium binding site 6 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 6 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ba401

b:39.9
occ:1.00
OD2 F:ASP195 2.7 16.0 1.0
OD2 F:ASP246 2.7 11.6 1.0
OE2 F:GLU221 2.8 15.9 1.0
OD1 F:ASN197 3.0 22.0 1.0
OD1 F:ASP195 3.2 15.2 1.0
OE2 F:GLU247 3.3 20.4 1.0
CG F:ASP195 3.3 14.8 1.0
OE1 F:GLU247 3.3 16.9 1.0
CD F:GLU247 3.7 18.9 1.0
CG F:ASP246 3.7 13.9 1.0
O F:HOH640 3.8 44.0 1.0
CD F:GLU221 3.8 17.5 1.0
CB F:ASP246 4.0 12.1 1.0
CG F:ASN197 4.1 21.7 1.0
CA F:ASN197 4.4 19.1 1.0
CG F:GLU221 4.4 15.3 1.0
CE1 F:TYR57 4.5 13.9 1.0
NZ F:LYS270 4.7 23.3 1.0
N F:ASN197 4.7 15.2 1.0
CB F:ASN197 4.7 18.1 1.0
OE1 F:GLU221 4.7 16.2 1.0
NZ F:LYS165 4.8 20.8 1.0
OD1 F:ASP246 4.8 12.8 1.0
CB F:ASP195 4.8 14.9 1.0
CD1 F:TYR57 4.9 14.7 1.0

Barium binding site 7 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 7 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ba401

b:47.3
occ:1.00
OD2 G:ASP195 2.7 18.9 1.0
OD2 G:ASP246 2.8 15.9 1.0
OE2 G:GLU221 2.8 19.4 1.0
OD1 G:ASN197 2.9 21.7 1.0
OD1 G:ASP195 3.2 16.3 1.0
CG G:ASP195 3.3 17.9 1.0
OE2 G:GLU247 3.4 22.5 1.0
OE1 G:GLU247 3.5 19.3 1.0
CG G:ASP246 3.7 18.1 1.0
CD G:GLU247 3.8 21.1 1.0
CD G:GLU221 3.8 18.3 1.0
CB G:ASP246 4.0 15.0 1.0
CG G:ASN197 4.1 22.3 1.0
O G:HOH594 4.3 37.7 1.0
CE1 G:TYR57 4.5 16.2 1.0
CA G:ASN197 4.5 18.5 1.0
CG G:GLU221 4.5 16.6 1.0
OE1 G:GLU221 4.6 18.9 1.0
OD1 G:ASP246 4.7 17.7 1.0
NZ G:LYS270 4.8 25.2 1.0
N G:ASN197 4.8 16.1 1.0
NZ G:LYS165 4.8 24.5 1.0
CB G:ASN197 4.8 19.5 1.0
CB G:ASP195 4.8 14.6 1.0
CD1 G:TYR57 4.9 16.8 1.0

Barium binding site 8 out of 8 in 2qde

Go back to Barium Binding Sites List in 2qde
Barium binding site 8 out of 8 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 8 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Family Protein From Azoarcus Sp. EBN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ba401

b:47.8
occ:1.00
OD2 H:ASP195 2.7 23.0 1.0
OD2 H:ASP246 2.7 20.2 1.0
OE2 H:GLU221 2.8 21.4 1.0
OD1 H:ASN197 2.9 24.6 1.0
OD1 H:ASP195 3.0 22.2 1.0
CG H:ASP195 3.2 21.6 1.0
OE2 H:GLU247 3.4 26.0 1.0
OE1 H:GLU247 3.5 24.4 1.0
CG H:ASP246 3.6 19.8 1.0
CD H:GLU247 3.8 25.4 1.0
CD H:GLU221 3.8 20.8 1.0
CB H:ASP246 3.9 17.0 1.0
CG H:ASN197 4.1 25.7 1.0
CA H:ASN197 4.4 21.9 1.0
CG H:GLU221 4.5 19.9 1.0
CE1 H:TYR57 4.5 19.9 1.0
NZ H:LYS270 4.6 29.5 1.0
CB H:ASP195 4.7 21.8 1.0
N H:ASN197 4.7 20.5 1.0
OD1 H:ASP246 4.7 18.5 1.0
OE1 H:GLU221 4.7 21.8 1.0
CB H:ASN197 4.7 23.0 1.0
NZ H:LYS165 4.7 27.8 1.0
O H:HOH547 4.8 35.1 1.0
CD1 H:TYR57 5.0 19.1 1.0

Reference:

R.Agarwal, S.K.Burley, S.Swaminathan. Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme Family Protein From Azoarcus Sp. EBN1. To Be Published.
Page generated: Wed Jul 10 15:04:44 2024

Last articles

Ca in 8BHH
Ca in 8BGW
Ca in 8BDE
Ca in 8BDG
Ca in 8BDY
Ca in 8BDF
Ca in 8BD2
Ca in 8BC1
Ca in 8BD9
Ca in 8BC0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy