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Chlorine in PDB 1o6z: 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)

Enzymatic activity of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)

All present enzymatic activity of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form):
1.1.1.37;

Protein crystallography data

The structure of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form), PDB code: 1o6z was solved by A.Irimia, C.Ebel, D.Madern, S.B.Richard, L.W.Cosenza, G.Zaccai, F.M.D.Vellieux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.0 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.640, 114.420, 124.870, 90.00, 93.11, 90.00
R / Rfree (%) 18.991 / 26.328

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) (pdb code 1o6z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form), PDB code: 1o6z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1o6z

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Chlorine binding site 1 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:36.2
occ:1.00
 NZ A:LYS205 2.9 39.8 1.0
N A:ASP306 3.1 36.5 1.0
N D:ASP211 3.2 33.0 1.0
CB A:ASP306 3.3 36.9 1.0
CA D:THR210B 3.6 29.9 1.0
CB D:THR210B 3.7 30.9 1.0
CE A:LYS205 3.8 36.4 1.0
CA A:ASP306 3.8 36.7 1.0
CG A:ASP306 3.9 40.1 1.0
C D:THR210B 3.9 30.6 1.0
CA A:TRP305 4.0 34.7 1.0
C A:TRP305 4.0 34.9 1.0
O A:ASP306 4.2 37.2 1.0
CA D:ASP211 4.3 34.2 1.0
O D:ASP211 4.3 36.5 1.0
OD2 A:ASP306 4.3 43.3 1.0
CB D:ASP211 4.3 35.8 1.0
CG2 D:THR210B 4.4 28.4 1.0
OD1 A:ASP306 4.4 46.9 1.0
C A:ASP306 4.5 37.3 1.0
CG D:ASP211 4.5 40.4 1.0
C D:ASP211 4.6 34.5 1.0
CB A:TRP305 4.6 34.2 1.0
OD2 D:ASP211 4.7 43.9 1.0
O D:GLY210A 4.8 29.6 1.0
N D:THR210B 4.8 29.6 1.0
OG1 D:THR210B 4.9 31.6 1.0

Chlorine binding site 2 out of 8 in 1o6z

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Chlorine binding site 2 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:36.2
occ:1.00
 OD2 B:ASP73 2.7 29.5 1.0
O A:HOH2113 2.8 41.5 1.0
ND1 A:HIS256 3.1 24.6 1.0
NH2 A:ARG166 3.1 31.5 1.0
CG A:HIS256 3.2 24.8 1.0
OD1 B:ASP73 3.3 26.8 1.0
CG B:ASP73 3.4 30.5 1.0
CB A:HIS256 3.5 25.6 1.0
O A:HOH2066 3.6 31.9 1.0
NH2 A:ARG252 3.6 36.3 1.0
CB B:TYR72 3.6 27.9 1.0
CE1 A:HIS256 3.6 27.0 1.0
CZ A:ARG252 3.7 29.1 1.0
NE A:ARG252 3.8 27.6 1.0
CD2 A:HIS256 3.9 27.0 1.0
NE2 A:HIS256 4.1 29.5 1.0
CZ A:ARG166 4.1 28.1 1.0
CG A:ARG252 4.3 24.4 1.0
NH1 A:ARG252 4.3 30.4 1.0
NE A:ARG166 4.3 27.3 1.0
CG B:TYR72 4.5 27.5 1.0
C B:TYR72 4.5 30.0 1.0
CD A:ARG252 4.6 27.0 1.0
O B:TYR72 4.6 29.5 1.0
CA A:HIS256 4.7 25.4 1.0
CA B:TYR72 4.7 29.8 1.0
N B:ASP73 4.8 29.2 1.0
O A:ARG252 4.8 26.8 1.0
CB B:ASP73 4.8 26.5 1.0

Chlorine binding site 3 out of 8 in 1o6z

Go back to Chlorine Binding Sites List in 1o6z
Chlorine binding site 3 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1003

b:36.5
occ:1.00
 N B:ASP306 3.0 36.9 1.0
NZ B:LYS205 3.3 42.7 1.0
N C:ASP211 3.4 33.3 1.0
CA C:THR210B 3.6 30.7 1.0
CB B:ASP306 3.6 37.1 1.0
O B:ASP306 3.7 38.2 1.0
CB C:THR210B 3.8 33.1 1.0
CE B:LYS205 3.8 39.6 1.0
CA B:ASP306 3.8 36.3 1.0
CA B:TRP305 3.9 35.3 1.0
C B:TRP305 4.0 36.6 1.0
C C:THR210B 4.1 31.5 1.0
CB B:TRP305 4.2 34.3 1.0
C B:ASP306 4.2 37.1 1.0
CG2 C:THR210B 4.3 30.8 1.0
CA C:ASP211 4.4 34.5 1.0
CB C:ASP211 4.6 34.9 1.0
O C:ASP211 4.6 31.9 1.0
C C:ASP211 4.7 34.2 1.0
CG B:TRP305 4.8 32.3 1.0
N C:THR210B 4.9 30.0 1.0
O B:GLU304 4.9 37.9 1.0
O C:GLY210A 4.9 33.1 1.0
CG B:ASP306 5.0 36.4 1.0

Chlorine binding site 4 out of 8 in 1o6z

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Chlorine binding site 4 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1006

b:60.8
occ:1.00
 OD2 A:ASP73 2.5 32.6 1.0
OD1 A:ASP73 3.1 36.5 1.0
NH2 B:ARG166 3.1 31.3 1.0
NH2 B:ARG252 3.1 34.2 1.0
CG A:ASP73 3.2 32.8 1.0
NE B:ARG252 3.3 30.5 1.0
CZ B:ARG252 3.4 30.8 1.0
ND1 B:HIS256 3.4 25.9 1.0
CG B:HIS256 3.6 27.5 1.0
CB B:HIS256 3.6 28.9 1.0
CB A:TYR72 3.6 29.4 1.0
O A:HOH2023 3.6 27.5 1.0
CG B:ARG252 3.9 26.3 1.0
CE1 B:HIS256 4.1 27.7 1.0
CD B:ARG252 4.2 27.6 1.0
CZ B:ARG166 4.3 30.7 1.0
NH1 B:ARG252 4.3 30.1 1.0
CD2 B:HIS256 4.3 31.0 1.0
O B:HOH2115 4.4 30.8 1.0
O B:ARG252 4.4 24.9 1.0
C A:TYR72 4.5 29.2 1.0
NE2 B:HIS256 4.6 27.8 1.0
CA B:HIS256 4.6 27.9 1.0
CG A:TYR72 4.6 30.9 1.0
CA A:TYR72 4.7 29.0 1.0
O A:TYR72 4.7 30.1 1.0
CB A:ASP73 4.7 28.7 1.0
NE B:ARG166 4.7 26.6 1.0
N A:ASP73 4.9 27.9 1.0
C B:ARG252 5.0 27.3 1.0

Chlorine binding site 5 out of 8 in 1o6z

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Chlorine binding site 5 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1004

b:32.4
occ:1.00
 NZ C:LYS205 2.8 36.4 1.0
N C:ASP306 3.1 33.9 1.0
N B:ASP211 3.3 33.4 1.0
CA B:THR210B 3.6 30.8 1.0
CB B:THR210B 3.7 31.5 1.0
CE C:LYS205 3.8 33.9 1.0
CB C:ASP306 3.8 37.5 1.0
C B:THR210B 3.9 30.7 1.0
CA C:TRP305 3.9 31.9 1.0
CA C:ASP306 4.0 34.4 1.0
C C:TRP305 4.0 32.8 1.0
O C:ASP306 4.1 34.8 1.0
CG2 B:THR210B 4.2 33.1 1.0
O B:ASP211 4.2 37.1 1.0
CA B:ASP211 4.4 34.4 1.0
CB C:TRP305 4.4 30.6 1.0
C C:ASP306 4.4 33.5 1.0
C B:ASP211 4.5 36.5 1.0
CB B:ASP211 4.6 35.9 1.0
OD2 B:ASP211 4.7 43.9 1.0
O B:GLY210A 4.9 29.6 1.0
N B:THR210B 4.9 31.3 1.0
CD1 C:TRP305 4.9 26.8 1.0
CG C:TRP305 4.9 30.3 1.0

Chlorine binding site 6 out of 8 in 1o6z

Go back to Chlorine Binding Sites List in 1o6z
Chlorine binding site 6 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1007

b:40.0
occ:1.00
 O D:HOH2030 2.5 41.0 1.0
OD2 D:ASP73 2.9 33.5 1.0
NH2 C:ARG166 3.1 23.0 1.0
ND1 C:HIS256 3.2 25.3 1.0
OD1 D:ASP73 3.3 32.7 1.0
NH2 C:ARG252 3.4 30.6 1.0
CG C:HIS256 3.4 25.9 1.0
CG D:ASP73 3.5 27.9 1.0
NE C:ARG252 3.6 27.8 1.0
O D:HOH2031 3.6 28.0 1.0
CB C:HIS256 3.6 24.6 1.0
CZ C:ARG252 3.6 30.6 1.0
CB D:TYR72 3.7 25.1 1.0
CE1 C:HIS256 3.8 23.9 1.0
CD2 C:HIS256 4.1 22.8 1.0
CG C:ARG252 4.2 28.2 1.0
CZ C:ARG166 4.2 23.5 1.0
NE2 C:HIS256 4.3 28.1 1.0
NH1 C:ARG252 4.4 32.4 1.0
O D:HOH2029 4.5 42.0 1.0
CD C:ARG252 4.5 26.8 1.0
O C:ARG252 4.5 23.8 1.0
NE C:ARG166 4.5 26.4 1.0
O D:HOH2018 4.5 41.6 1.0
CA C:HIS256 4.5 23.4 1.0
C D:TYR72 4.5 27.4 1.0
O D:TYR72 4.7 29.6 1.0
CG D:TYR72 4.7 25.6 1.0
CA D:TYR72 4.7 27.9 1.0
N D:ASP73 4.9 28.3 1.0
CB D:ASP73 4.9 28.1 1.0

Chlorine binding site 7 out of 8 in 1o6z

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Chlorine binding site 7 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1002

b:37.0
occ:1.00
 NZ D:LYS205 2.9 36.7 1.0
N D:ASP306 3.3 34.2 1.0
N A:ASP211 3.4 38.9 1.0
CB A:THR210B 3.5 39.2 1.0
CA A:THR210B 3.5 38.1 1.0
CE D:LYS205 3.6 34.3 1.0
CB D:ASP306 3.7 37.8 1.0
O D:ASP306 3.9 43.5 1.0
CA D:ASP306 4.0 37.2 1.0
C A:THR210B 4.0 37.4 1.0
CA D:TRP305 4.1 30.9 1.0
CG2 A:THR210B 4.2 39.0 1.0
C D:TRP305 4.2 33.5 1.0
C D:ASP306 4.3 39.0 1.0
O A:ASP211 4.5 40.2 1.0
CA A:ASP211 4.5 39.3 1.0
CB D:TRP305 4.6 31.1 1.0
C A:ASP211 4.7 39.5 1.0
CB A:ASP211 4.7 41.1 1.0
OG1 A:THR210B 4.7 41.4 1.0
OD2 A:ASP211 4.7 44.5 1.0
CD D:LYS205 4.9 32.8 1.0
N A:THR210B 4.9 36.5 1.0

Chlorine binding site 8 out of 8 in 1o6z

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Chlorine binding site 8 out of 8 in the 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.95 A Resolution Structure of (R207S,R292S) Mutant of Malate Dehydrogenase From the Halophilic Archaeon Haloarcula Marismortui (Holo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1008

b:46.4
occ:1.00
 OD2 C:ASP73 2.7 31.1 1.0
O D:HOH2129 2.8 37.8 1.0
NH2 D:ARG166 3.0 28.3 1.0
ND1 D:HIS256 3.3 29.7 1.0
CG D:HIS256 3.3 28.1 1.0
CB D:HIS256 3.4 31.4 1.0
NH2 D:ARG252 3.5 31.1 1.0
CZ D:ARG252 3.5 30.1 1.0
OD1 C:ASP73 3.5 37.1 1.0
CG C:ASP73 3.5 32.0 1.0
NE D:ARG252 3.5 27.5 1.0
CB C:TYR72 3.6 28.3 1.0
O C:HOH2030 3.6 34.7 1.0
CE1 D:HIS256 3.9 32.0 1.0
CG D:ARG252 3.9 24.0 1.0
CD2 D:HIS256 4.0 30.1 1.0
CZ D:ARG166 4.1 29.9 1.0
NH1 D:ARG252 4.2 31.9 1.0
O D:ARG252 4.3 26.0 1.0
NE2 D:HIS256 4.3 26.0 1.0
NE D:ARG166 4.3 27.2 1.0
CD D:ARG252 4.3 27.5 1.0
CA D:HIS256 4.4 30.2 1.0
O D:HOH2049 4.4 37.8 1.0
CG C:TYR72 4.4 28.1 1.0
CA C:TYR72 4.7 27.9 1.0
C C:TYR72 4.7 28.3 1.0
C D:ARG252 4.8 26.0 1.0
CB C:ASP73 4.9 30.0 1.0
O D:HOH2130 4.9 40.7 1.0
O C:TYR72 4.9 29.6 1.0
N D:HIS256 4.9 29.6 1.0
N C:ASP73 5.0 30.3 1.0

Reference:

A.Irimia, C.Ebel, D.Madern, S.B.Richard, L.W.Cosenza, G.Zaccai, F.M.D.Vellieux. The Oligomeric States of Haloarcula Marismortui Malate Dehydrogenase Are Modulated By Solvent Components As Shown By Crystallographic and Biochemical Studies J.Mol.Biol. V. 326 859 2003.
ISSN: ISSN 0022-2836
PubMed: 12581646
DOI: 10.1016/S0022-2836(02)01450-X
Page generated: Sat Jul 20 00:50:15 2024

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