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Chlorine in PDB 6bwt: 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.

Enzymatic activity of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.

All present enzymatic activity of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.:
1.8.1.9;

Protein crystallography data

The structure of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis., PDB code: 6bwt was solved by G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.52 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.299, 112.587, 167.044, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 25.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. (pdb code 6bwt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis., PDB code: 6bwt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6bwt

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Chlorine binding site 1 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:93.5
occ:1.00
 OD2 A:ASP138 3.4 72.7 1.0
N A:LYS129 3.5 74.2 1.0
C A:GLY128 3.5 73.6 1.0
OH A:TYR142 3.5 75.2 1.0
CA A:GLY128 3.5 71.8 1.0
N A:GLY130 3.7 70.7 1.0
O A:VAL131 3.9 58.1 1.0
O A:GLY128 4.1 75.5 1.0
CA A:LYS129 4.2 76.0 1.0
CG A:ASP138 4.2 70.6 1.0
N A:GLY128 4.3 68.6 1.0
CB A:ASP138 4.4 69.7 1.0
C A:LYS129 4.4 74.1 1.0
N A:VAL131 4.5 59.3 1.0
CA A:GLY130 4.5 67.1 1.0
CB A:SER132 4.5 57.0 1.0
C A:VAL131 4.6 56.5 1.0
CZ A:TYR142 4.6 72.9 1.0
C A:GLY130 4.7 61.4 1.0
CE2 A:TYR142 4.8 70.5 1.0

Chlorine binding site 2 out of 6 in 6bwt

Go back to Chlorine Binding Sites List in 6bwt
Chlorine binding site 2 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:72.1
occ:1.00
 O B:HOH506 3.5 42.6 1.0
N B:GLY35 3.7 62.1 1.0
CA B:GLY11 3.8 38.2 1.0
O B:HOH555 3.9 64.0 1.0
O B:HOH552 4.0 40.1 1.0
OG B:SER12 4.1 44.2 1.0
OG1 B:THR34 4.1 66.9 1.0
N B:SER12 4.3 42.0 1.0
C B:GLY11 4.3 42.4 1.0
N B:GLY11 4.3 37.9 1.0
CA B:THR34 4.4 57.4 1.0
CA B:GLY35 4.5 63.5 1.0
C B:THR34 4.6 61.4 1.0
O B:THR111 4.7 41.0 1.0
CB B:THR34 4.8 59.0 1.0
CA B:THR111 4.8 38.8 1.0
CB B:SER12 4.9 44.6 1.0
CG2 B:THR111 4.9 42.4 1.0
O B:ILE33 4.9 50.5 1.0

Chlorine binding site 3 out of 6 in 6bwt

Go back to Chlorine Binding Sites List in 6bwt
Chlorine binding site 3 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:98.7
occ:1.00
 N B:VAL99 3.1 89.4 1.0
OD2 B:ASP81 3.4 56.5 1.0
N B:GLU100 3.4 88.1 1.0
CB B:VAL99 3.6 97.8 1.0
CG B:ASP81 3.7 57.7 1.0
OD1 B:ASP81 3.7 57.4 1.0
CA B:VAL99 3.7 92.6 1.0
CB B:GLU98 3.9 82.2 1.0
CG B:GLU100 4.0 90.5 1.0
C B:VAL99 4.0 91.9 1.0
C B:GLU98 4.1 85.7 1.0
N B:GLU98 4.1 72.4 1.0
CB B:GLU100 4.2 86.6 1.0
CA B:GLU98 4.2 79.0 1.0
CG2 B:VAL99 4.4 98.7 1.0
CA B:GLU100 4.5 85.5 1.0
CG1 B:VAL99 4.7 0.9 1.0
CB B:ASP81 4.8 56.3 1.0
OH B:TYR102 4.8 48.1 1.0
O B:HOH517 4.8 56.3 1.0
C B:GLY97 4.9 66.9 1.0

Chlorine binding site 4 out of 6 in 6bwt

Go back to Chlorine Binding Sites List in 6bwt
Chlorine binding site 4 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:74.1
occ:1.00
 N C:ASN258 3.3 64.1 1.0
CA C:ASN258 4.0 62.7 1.0
ND2 C:ASN258 4.2 78.5 1.0
C C:GLU257 4.3 63.4 1.0
CA C:GLU257 4.3 66.0 1.0
O C:HOH535 4.6 51.4 1.0
O C:MET256 4.8 62.1 1.0
N C:GLY259 4.9 55.4 1.0

Chlorine binding site 5 out of 6 in 6bwt

Go back to Chlorine Binding Sites List in 6bwt
Chlorine binding site 5 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:99.3
occ:1.00
 N C:SER122 3.4 0.6 1.0
CA C:SER122 3.9 0.1 1.0
OE1 C:GLU124 4.2 0.2 1.0
N C:GLU123 4.3 0.8 1.0
CB C:GLU124 4.4 0.5 1.0
O C:LEU120 4.4 88.8 1.0
C C:GLU121 4.4 0.9 1.0
C C:SER122 4.5 0.9 1.0
CA C:GLU121 4.5 0.9 1.0
CG C:GLU124 4.5 0.6 1.0
N C:GLU124 4.5 0.6 1.0
CD C:GLU124 4.7 0.5 1.0

Chlorine binding site 6 out of 6 in 6bwt

Go back to Chlorine Binding Sites List in 6bwt
Chlorine binding site 6 out of 6 in the 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:92.2
occ:1.00
 NE C:ARG176 2.9 0.2 1.0
O1 C:SO4406 3.3 75.4 0.5
NH2 C:ARG176 3.4 0.5 1.0
CZ C:ARG176 3.6 0.5 1.0
NH1 C:ARG180 3.8 1.0 1.0
CD C:ARG176 3.9 0.8 1.0
NH1 C:ARG175 4.0 0.4 1.0
NE C:ARG175 4.0 0.9 1.0
CZ C:ARG180 4.1 0.0 1.0
NE C:ARG180 4.3 0.2 1.0
CD C:ARG180 4.4 0.8 1.0
CZ C:ARG175 4.4 0.2 1.0
CG C:ARG176 4.4 0.1 1.0
S C:SO4406 4.7 73.8 0.5
NH2 C:ARG180 4.7 0.5 1.0
CE1 C:HIS174 4.8 94.3 1.0
O C:HOH519 4.8 88.6 1.0
NH1 C:ARG176 4.9 0.1 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase From Francisella Tularensis. To Be Published.
Page generated: Fri Jul 26 23:09:26 2024

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