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Chlorine in PDB 4jco: 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui

Enzymatic activity of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui

All present enzymatic activity of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui:
1.1.1.37;

Protein crystallography data

The structure of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui, PDB code: 4jco was solved by F.M.D.Vellieux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.96 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.813, 114.065, 124.022, 90.00, 93.49, 90.00
R / Rfree (%) 22.4 / 25.7

Other elements in 4jco:

The structure of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui also contains other interesting chemical elements:

Sodium (Na) 26 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui (pdb code 4jco). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui, PDB code: 4jco:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 4jco

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Chlorine binding site 1 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:19.4
occ:1.00
 N D:ASP211 3.2 17.9 1.0
NZ A:LYS205 3.2 24.1 1.0
N A:ASP306 3.2 26.0 1.0
CE A:LYS205 3.6 22.6 1.0
CA D:THR210A 3.6 19.8 1.0
O D:HOH720 3.6 37.9 1.0
CB A:ASP306 3.7 29.0 1.0
CB D:THR210A 3.7 20.9 1.0
O A:HOH547 3.8 32.5 1.0
C D:THR210A 3.9 16.1 1.0
O D:HOH628 3.9 31.6 1.0
CA A:ASP306 4.0 27.3 1.0
CA A:TRP305 4.1 23.6 1.0
C A:TRP305 4.1 26.4 1.0
CA D:ASP211 4.1 22.4 1.0
O A:ASP306 4.2 32.7 1.0
CB D:ASP211 4.3 18.0 1.0
O D:ASP211 4.3 20.4 1.0
CG2 D:THR210A 4.4 20.6 1.0
O A:HOH773 4.4 33.9 1.0
C D:ASP211 4.5 21.1 1.0
C A:ASP306 4.6 27.6 1.0
CB A:TRP305 4.7 22.6 1.0
OD2 D:ASP211 4.7 22.3 1.0
CG D:ASP211 4.7 23.2 1.0
O D:GLY210 4.8 18.6 1.0
OG1 D:THR210A 4.9 17.8 1.0
CD A:LYS205 4.9 18.6 1.0
N D:THR210A 4.9 20.8 1.0

Chlorine binding site 2 out of 13 in 4jco

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Chlorine binding site 2 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:32.8
occ:1.00
 O B:HOH537 2.5 30.1 1.0
OD2 B:ASP73 2.8 20.5 1.0
ND1 A:HIS256 3.0 16.5 1.0
NH2 A:ARG166 3.1 19.6 1.0
CG A:HIS256 3.2 14.5 1.0
OD1 B:ASP73 3.2 26.7 1.0
CG B:ASP73 3.3 24.5 1.0
CB A:HIS256 3.5 16.9 1.0
CE1 A:HIS256 3.6 18.9 1.0
CB B:TYR72 3.6 13.0 1.0
NH2 A:ARG252 3.8 22.9 1.0
CZ A:ARG252 3.8 23.2 1.0
CD2 A:HIS256 3.8 18.5 1.0
O B:HOH535 3.9 20.0 1.0
NE A:ARG252 4.0 17.8 1.0
NE2 A:HIS256 4.0 17.6 1.0
O A:HOH840 4.1 35.2 1.0
CZ A:ARG166 4.1 20.5 1.0
NH1 A:ARG252 4.2 26.7 1.0
NE A:ARG166 4.3 12.6 1.0
O B:HOH512 4.3 33.1 1.0
CG A:ARG252 4.4 14.6 1.0
CG B:TYR72 4.5 16.7 1.0
CA A:HIS256 4.5 13.4 1.0
O B:HOH779 4.6 36.2 1.0
O A:ARG252 4.6 12.5 1.0
C B:TYR72 4.6 20.3 1.0
CA B:TYR72 4.7 14.1 1.0
CD A:ARG252 4.7 15.4 1.0
CB B:ASP73 4.8 21.5 1.0
O B:TYR72 4.8 20.2 1.0
N B:ASP73 5.0 19.0 1.0

Chlorine binding site 3 out of 13 in 4jco

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Chlorine binding site 3 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:29.8
occ:1.00
 O A:GLY69 2.7 18.7 1.0
OD2 A:ASP73 2.7 20.8 1.0
N A:TYR72 2.9 14.3 1.0
C A:ILE70 3.2 19.3 1.0
NH2 B:ARG166 3.2 18.6 1.0
N A:ALA71 3.3 14.4 1.0
CA A:ILE70 3.5 13.9 1.0
CB A:TYR72 3.5 14.2 1.0
CA A:TYR72 3.5 14.0 1.0
O A:HOH502 3.5 24.4 1.0
O A:ILE70 3.6 17.7 1.0
C A:GLY69 3.6 17.7 1.0
N A:ASP73 3.6 18.9 1.0
CG B:ARG252 3.7 14.9 1.0
CG A:ASP73 3.7 21.7 1.0
N A:ILE70 3.9 16.1 1.0
C A:TYR72 3.9 21.9 1.0
C A:ALA71 3.9 17.4 1.0
CL A:CL404 4.0 32.4 1.0
CA A:ALA71 4.1 14.9 1.0
CB A:ASP73 4.1 19.6 1.0
CZ B:ARG166 4.3 17.5 1.0
CD1 A:TYR72 4.3 17.6 1.0
CG A:TYR72 4.4 14.6 1.0
O A:HIS68 4.5 16.6 1.0
CA A:ASP73 4.5 16.6 1.0
NH1 B:ARG166 4.6 19.4 1.0
CB B:ARG252 4.6 15.4 1.0
OD1 A:ASP73 4.7 27.2 1.0
NE B:ARG252 4.7 19.0 1.0
CD B:ARG252 4.8 15.0 1.0
CB A:ALA71 4.8 16.2 1.0
CA A:GLY69 4.8 17.1 1.0
CB A:ILE70 4.8 18.0 1.0
O A:TYR72 4.9 22.8 1.0

Chlorine binding site 4 out of 13 in 4jco

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Chlorine binding site 4 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:32.4
occ:1.00
 O A:HIS68 2.8 16.6 1.0
O B:GLY249 2.8 19.5 1.0
NH1 B:ARG166 2.9 19.4 1.0
O A:GLY69 3.4 18.7 1.0
NH2 B:ARG166 3.5 18.6 1.0
CA A:GLY69 3.5 17.1 1.0
CZ B:ARG166 3.6 17.5 1.0
C A:HIS68 3.6 16.5 1.0
C B:GLY249 3.7 16.9 1.0
C A:GLY69 3.7 17.7 1.0
N B:GLY253 3.8 19.7 1.0
CA B:GLY249 3.9 19.5 1.0
CB B:ALA170 3.9 15.9 1.0
N A:GLY69 4.0 15.6 1.0
CB B:ARG252 4.0 15.4 1.0
CL A:CL403 4.0 29.8 1.0
CA B:GLY253 4.3 17.0 1.0
O B:TRP248 4.4 18.2 1.0
C B:ARG252 4.5 18.0 1.0
CG B:ARG252 4.5 14.9 1.0
CA B:ARG252 4.7 15.7 1.0
N A:ILE70 4.7 16.1 1.0
CA A:HIS68 4.9 19.1 1.0
NE B:ARG166 4.9 18.0 1.0
N B:ARG252 4.9 17.7 1.0
N B:GLY249 4.9 17.7 1.0
N B:PRO250 4.9 17.6 1.0
O B:ARG166 5.0 16.5 1.0

Chlorine binding site 5 out of 13 in 4jco

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Chlorine binding site 5 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:18.6
occ:1.00
 N B:ASP306 3.1 19.8 1.0
N C:ASP211 3.2 20.9 1.0
NZ B:LYS205 3.3 21.6 1.0
O B:HOH689 3.3 35.0 1.0
CA C:THR210A 3.6 16.9 1.0
CB B:ASP306 3.6 21.7 1.0
CE B:LYS205 3.6 21.8 1.0
O C:HOH629 3.7 22.7 1.0
CB C:THR210A 3.7 18.7 1.0
O B:HOH731 3.8 31.0 1.0
CA B:ASP306 3.9 17.0 1.0
C C:THR210A 3.9 17.2 1.0
CA B:TRP305 4.0 19.1 1.0
C B:TRP305 4.0 24.2 1.0
O B:ASP306 4.0 29.1 1.0
CA C:ASP211 4.2 19.4 1.0
O B:HOH750 4.3 45.3 1.0
CG2 C:THR210A 4.3 17.0 1.0
C B:ASP306 4.4 25.1 1.0
CB C:ASP211 4.4 15.8 1.0
CB B:TRP305 4.4 16.7 1.0
O C:ASP211 4.6 20.6 1.0
C C:ASP211 4.6 19.2 1.0
O C:GLY210 4.8 16.4 1.0
OG1 C:THR210A 4.9 19.4 1.0
N C:THR210A 4.9 19.4 1.0
CG C:ASP211 4.9 20.8 1.0
OD2 C:ASP211 4.9 21.6 1.0
CD B:LYS205 4.9 18.1 1.0
CG B:TRP305 5.0 19.5 1.0

Chlorine binding site 6 out of 13 in 4jco

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Chlorine binding site 6 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:30.5
occ:1.00
 O B:HOH542 2.7 30.9 1.0
O B:HOH602 2.9 26.1 1.0
NH2 B:ARG171 3.3 20.7 1.0
NH1 B:ARG171 3.4 21.8 1.0
OG1 B:THR246 3.7 32.4 1.0
CB B:THR246 3.7 29.0 1.0
CG2 B:THR246 3.8 28.7 1.0
CZ B:ARG171 3.8 20.6 1.0
CD1 B:ILE240 3.8 27.1 1.0
CD2 B:LEU167 3.9 21.2 1.0
CG1 B:ILE240 4.1 28.7 1.0
O B:HOH725 4.3 44.9 1.0
O B:HOH789 4.3 59.6 1.0
O B:HOH788 4.5 34.2 1.0
NE2 B:HIS195 4.8 20.1 1.0

Chlorine binding site 7 out of 13 in 4jco

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Chlorine binding site 7 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:32.2
occ:1.00
 O C:GLY69 2.9 18.2 1.0
NH2 D:ARG166 2.9 19.1 1.0
OD2 C:ASP73 2.9 18.1 1.0
N C:TYR72 2.9 17.4 1.0
C C:ILE70 3.4 19.5 1.0
N C:ALA71 3.4 14.8 1.0
CB C:TYR72 3.4 16.3 1.0
CA C:TYR72 3.6 16.1 1.0
O C:HOH504 3.6 28.0 1.0
C C:GLY69 3.7 19.3 1.0
CG D:ARG252 3.7 15.1 1.0
CA C:ILE70 3.7 13.5 1.0
O C:ILE70 3.8 18.5 1.0
N C:ASP73 3.8 18.2 1.0
CG C:ASP73 3.9 20.7 1.0
O D:HOH509 3.9 19.8 1.0
CZ D:ARG166 3.9 19.2 1.0
C C:ALA71 3.9 15.8 1.0
C C:TYR72 4.0 20.2 1.0
N C:ILE70 4.0 15.3 1.0
CA C:ALA71 4.1 15.5 1.0
CD1 C:TYR72 4.1 17.2 1.0
CG C:TYR72 4.2 17.1 1.0
NH1 D:ARG166 4.2 20.4 1.0
CB C:ASP73 4.3 18.7 1.0
O C:HIS68 4.4 17.1 1.0
CB D:ARG252 4.5 14.9 1.0
CA C:ASP73 4.7 16.6 1.0
CB C:ALA71 4.8 16.4 1.0
OD1 C:ASP73 4.8 28.3 1.0
NE D:ARG252 4.8 17.9 1.0
CD D:ARG252 4.9 14.2 1.0
CA C:GLY69 4.9 15.0 1.0

Chlorine binding site 8 out of 13 in 4jco

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Chlorine binding site 8 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:18.4
occ:1.00
 N C:ASP306 3.1 20.5 1.0
NZ C:LYS205 3.2 22.8 1.0
N B:ASP211 3.2 20.5 1.0
CE C:LYS205 3.6 23.5 1.0
O B:HOH735 3.6 36.5 1.0
CA B:THR210A 3.6 17.5 1.0
CB C:ASP306 3.7 23.4 1.0
CB B:THR210A 3.7 20.8 1.0
O C:HOH716 3.9 35.0 1.0
C B:THR210A 3.9 14.0 1.0
CA C:ASP306 3.9 19.4 1.0
CA C:TRP305 4.0 19.8 1.0
C C:TRP305 4.0 24.5 1.0
O C:ASP306 4.1 30.5 1.0
CA B:ASP211 4.2 23.3 1.0
CG2 B:THR210A 4.4 19.7 1.0
CB B:ASP211 4.4 19.8 1.0
C C:ASP306 4.5 27.3 1.0
CB C:TRP305 4.5 18.3 1.0
O B:ASP211 4.5 20.4 1.0
C B:ASP211 4.6 22.1 1.0
OD2 B:ASP211 4.8 21.2 1.0
CD C:LYS205 4.8 18.6 1.0
O B:GLY210 4.9 19.1 1.0
CG B:ASP211 4.9 22.6 1.0
N B:THR210A 4.9 22.0 1.0
OG1 B:THR210A 5.0 20.1 1.0
O C:HOH715 5.0 41.6 1.0

Chlorine binding site 9 out of 13 in 4jco

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Chlorine binding site 9 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:34.7
occ:1.00
 O D:HOH544 2.6 24.1 1.0
OD2 D:ASP73 2.8 21.7 1.0
NH2 C:ARG166 3.0 18.9 1.0
ND1 C:HIS256 3.1 16.2 1.0
CG C:HIS256 3.2 17.6 1.0
OD1 D:ASP73 3.3 29.7 1.0
CB C:HIS256 3.4 18.7 1.0
CG D:ASP73 3.4 19.6 1.0
NH2 C:ARG252 3.6 23.3 1.0
CZ C:ARG252 3.6 25.4 1.0
CB D:TYR72 3.7 15.7 1.0
CL D:CL403 3.7 34.4 1.0
NE C:ARG252 3.7 18.6 1.0
CE1 C:HIS256 3.8 21.0 1.0
CD2 C:HIS256 3.9 19.5 1.0
CZ C:ARG166 4.1 18.3 1.0
CG C:ARG252 4.1 12.5 1.0
NE2 C:HIS256 4.2 16.6 1.0
NE C:ARG166 4.3 13.5 1.0
O C:HOH650 4.3 6.7 0.4
NH1 C:ARG252 4.3 26.8 1.0
CA C:HIS256 4.4 13.4 1.0
O C:ARG252 4.4 11.7 1.0
CD C:ARG252 4.5 13.5 1.0
CG D:TYR72 4.5 14.3 1.0
O C:HOH701 4.6 21.0 1.0
C D:TYR72 4.7 20.9 1.0
O D:HOH543 4.7 32.0 1.0
CA D:TYR72 4.8 11.5 1.0
CB D:ASP73 4.8 14.6 1.0
O D:TYR72 4.9 22.7 1.0
N C:HIS256 5.0 11.9 1.0

Chlorine binding site 10 out of 13 in 4jco

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Chlorine binding site 10 out of 13 in the 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.7 A Resolution Structure of Wild Type Malate Dehydrogenase From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:35.1
occ:1.00
 NH2 C:ARG171 3.0 19.8 1.0
O C:HOH615 3.2 30.1 1.0
NH1 C:ARG171 3.4 21.2 1.0
CB C:THR246 3.7 26.4 1.0
OG1 C:THR246 3.7 30.1 1.0
CZ C:ARG171 3.7 21.0 1.0
CG2 C:THR246 3.7 27.4 1.0
CD1 C:ILE240 3.9 29.5 1.0
CD2 C:LEU167 4.0 20.0 1.0
CG1 C:ILE240 4.2 28.6 1.0
O C:HOH524 4.7 34.2 1.0
NE2 C:HIS195 4.7 20.0 1.0
O C:HOH839 4.7 39.9 1.0

Reference:

F.M.D.Vellieux, F.M.D.Vellieux. N/A N/A.
Page generated: Sun Jul 21 17:21:07 2024

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