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Chlorine in PDB 2vd3: The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum

Enzymatic activity of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum

All present enzymatic activity of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum:
2.4.2.17;

Protein crystallography data

The structure of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum, PDB code: 2vd3 was solved by B.Lohkamp, T.Schweikert, A.J.Lapthorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 2.45
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 112.103, 112.103, 247.622, 90.00, 90.00, 120.00
R / Rfree (%) 22.6 / 28.7

Other elements in 2vd3:

The structure of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum also contains other interesting chemical elements:

Magnesium (Mg) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum (pdb code 2vd3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum, PDB code: 2vd3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 2vd3

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Chlorine binding site 1 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:84.5
occ:1.00
 OG A:SER160 3.5 59.5 1.0
N A:GLY163 4.1 67.3 1.0
CA A:GLY163 4.2 68.1 1.0
CG2 A:VAL173 4.2 53.7 1.0
CG1 A:VAL95 4.2 49.4 1.0
C A:THR162 4.5 66.6 1.0
O A:SER160 4.6 59.9 1.0
CB A:SER160 4.7 59.2 1.0
O A:THR162 4.8 67.0 1.0
O A:SER161 4.9 64.0 1.0
CG2 A:VAL95 5.0 49.6 1.0
CB A:SER93 5.0 52.1 1.0

Chlorine binding site 2 out of 9 in 2vd3

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Chlorine binding site 2 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1291

b:57.3
occ:1.00
 N A:GLY196 3.4 45.2 1.0
N A:ILE197 3.4 46.6 1.0
C A:LYS194 3.5 44.9 1.0
CG A:PRO1 3.5 57.7 1.0
CA A:LYS194 3.5 45.0 1.0
O A:LYS194 3.6 44.9 1.0
CA A:GLY196 3.7 45.8 1.0
CG2 A:ILE197 3.8 46.8 1.0
N A:SER195 3.9 44.9 1.0
C A:GLY196 4.1 46.3 1.0
CB A:LYS194 4.2 45.2 1.0
CB A:ILE197 4.2 46.9 1.0
CD A:PRO1 4.4 57.9 1.0
C A:SER195 4.4 44.9 1.0
CA A:ILE197 4.4 47.0 1.0
CB A:PRO1 4.5 57.4 1.0
O A:THR193 4.6 45.3 1.0
N A:LYS194 4.7 45.2 1.0
CA A:SER195 4.8 44.9 1.0

Chlorine binding site 3 out of 9 in 2vd3

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Chlorine binding site 3 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1292

b:70.3
occ:1.00
 NZ A:LYS183 3.0 44.5 1.0
CE A:LYS183 3.6 44.3 1.0
O A:GLU179 4.3 44.0 1.0
CD2 A:TYR71 4.3 45.3 1.0
CE2 A:TYR71 4.5 44.4 1.0
OD2 A:ASP86 4.5 49.4 1.0
CG A:TYR71 4.6 44.6 1.0
CB A:SER181 4.7 44.8 1.0
CZ A:TYR71 4.9 44.7 1.0
CD1 A:TYR71 4.9 44.3 1.0
O A:HOH2024 5.0 31.8 1.0

Chlorine binding site 4 out of 9 in 2vd3

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Chlorine binding site 4 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1293

b:41.1
occ:1.00
 OG1 A:THR157 2.8 47.0 1.0
N A:GLU119 3.2 44.6 1.0
O A:THR157 3.3 49.8 1.0
C A:THR157 3.6 49.6 1.0
CB A:GLU119 3.7 44.9 1.0
CD1 A:PHE120 3.8 44.6 1.0
CG A:GLU119 3.8 45.4 1.0
N A:ASP158 3.9 50.8 1.0
CA A:ASP158 4.0 52.0 1.0
CD1 A:LEU94 4.0 50.0 1.0
CA A:GLU119 4.0 45.0 1.0
CB A:THR157 4.0 48.6 1.0
CE1 A:PHE120 4.1 44.9 1.0
OG1 A:THR118 4.1 43.6 1.0
CG2 A:THR144 4.1 51.6 1.0
C A:THR118 4.1 44.4 1.0
CA A:THR118 4.2 44.0 1.0
OG1 A:THR144 4.2 51.4 1.0
OE1 A:GLU119 4.3 48.4 1.0
CA A:THR157 4.4 48.8 1.0
CD A:GLU119 4.5 47.3 1.0
N A:PHE120 4.5 45.0 1.0
C A:ASP158 4.7 52.9 1.0
C A:GLU119 4.7 45.0 1.0
OD2 A:ASP158 4.8 53.5 1.0
CB A:THR118 4.8 44.0 1.0
CB A:THR144 4.8 51.7 1.0
N A:LEU159 4.8 53.8 1.0
N A:THR157 4.9 48.5 1.0
CG A:PHE120 5.0 45.1 1.0

Chlorine binding site 5 out of 9 in 2vd3

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Chlorine binding site 5 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1009

b:84.5
occ:1.00
 OE1 B:GLU139 3.9 50.3 1.0
C1 B:MPD1297 4.1 59.2 1.0
CD B:GLU139 4.2 49.6 1.0
C1 A:MPD1298 4.3 81.7 1.0
O4 A:MPD1298 4.4 81.6 1.0
CG B:GLU139 4.5 49.5 1.0
NH1 A:ARG77 4.5 50.5 1.0
OE2 B:GLU139 4.7 50.3 1.0
CZ A:ARG77 4.7 50.0 1.0
NE A:ARG77 4.7 49.3 1.0
O2 B:MPD1297 4.8 59.2 1.0
CB A:ALA53 4.8 41.1 1.0
OG1 B:THR141 4.9 49.7 1.0

Chlorine binding site 6 out of 9 in 2vd3

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Chlorine binding site 6 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1289

b:50.0
occ:1.00
 OG1 B:THR157 3.1 47.2 1.0
N B:GLU119 3.1 43.8 1.0
O B:THR157 3.3 49.8 1.0
CG B:GLU119 3.7 45.0 1.0
C B:THR157 3.7 49.8 1.0
CB B:GLU119 3.7 44.4 1.0
CD1 B:PHE120 3.8 44.0 1.0
OG1 B:THR118 3.9 43.3 1.0
OG1 B:THR144 4.0 51.8 1.0
CA B:GLU119 4.0 44.5 1.0
CG2 B:THR144 4.0 50.1 1.0
C B:THR118 4.0 43.7 1.0
CA B:THR118 4.0 43.6 1.0
CA B:ASP158 4.0 52.1 1.0
CE1 B:PHE120 4.1 43.5 1.0
N B:ASP158 4.1 50.8 1.0
CB B:THR157 4.2 48.9 1.0
OE1 B:GLU119 4.2 47.8 1.0
CD1 B:LEU94 4.2 48.7 1.0
CD B:GLU119 4.3 47.4 1.0
CB B:THR144 4.5 51.2 1.0
CA B:THR157 4.5 49.0 1.0
N B:PHE120 4.5 44.8 1.0
CB B:THR118 4.6 43.8 1.0
OD2 B:ASP158 4.7 52.2 1.0
C B:GLU119 4.7 44.4 1.0
C B:ASP158 4.7 52.8 1.0
N B:LEU159 5.0 53.8 1.0

Chlorine binding site 7 out of 9 in 2vd3

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Chlorine binding site 7 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1290

b:79.5
occ:1.00
 N B:ILE197 3.1 46.2 1.0
N B:GLY196 3.4 45.6 1.0
CG B:PRO1 3.4 57.2 1.0
CA B:GLY196 3.5 45.8 1.0
C B:LYS194 3.7 45.2 1.0
CG2 B:ILE197 3.7 46.4 1.0
CA B:LYS194 3.8 45.0 1.0
C B:GLY196 3.8 46.0 1.0
O B:LYS194 3.8 45.4 1.0
CB B:ILE197 4.0 46.5 1.0
CA B:ILE197 4.2 46.5 1.0
N B:SER195 4.2 45.3 1.0
CB B:LYS194 4.4 44.9 1.0
C B:SER195 4.4 45.5 1.0
CB B:PRO1 4.5 57.0 1.0
CD B:PRO1 4.5 57.6 1.0
O B:THR193 4.9 45.2 1.0
CA B:SER195 4.9 45.4 1.0
O B:GLY196 5.0 46.2 1.0

Chlorine binding site 8 out of 9 in 2vd3

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Chlorine binding site 8 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1291

b:82.0
occ:1.00
 N B:VAL173 3.4 54.6 1.0
O B:LEU171 3.6 57.8 1.0
CA B:ARG172 3.6 56.5 1.0
C B:ARG172 4.0 55.6 1.0
CG2 B:VAL173 4.3 53.3 1.0
CB B:VAL173 4.4 53.7 1.0
C B:LEU171 4.4 57.8 1.0
CB B:ARG172 4.4 56.5 1.0
CG B:ARG172 4.5 57.0 1.0
CA B:VAL173 4.5 53.7 1.0
N B:ARG172 4.5 57.1 1.0
NH1 B:ARG167 4.6 72.8 1.0
CG B:ARG167 4.6 69.2 1.0
NE B:ARG167 4.6 72.3 1.0
CZ B:ARG167 4.6 72.9 1.0
O B:GLY163 5.0 68.3 1.0
CB B:LEU166 5.0 69.2 1.0

Chlorine binding site 9 out of 9 in 2vd3

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Chlorine binding site 9 out of 9 in the The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1292

b:59.9
occ:1.00
 N B:ALA53 3.2 42.0 1.0
CB B:ALA53 3.5 41.5 1.0
N B:ALA52 3.7 42.8 1.0
CA B:ALA53 3.9 42.1 1.0
NE B:ARG51 4.0 51.5 1.0
CD B:ARG51 4.0 49.3 1.0
CB B:ARG51 4.0 44.6 1.0
C B:ALA52 4.1 42.0 1.0
CA B:ALA52 4.1 42.4 1.0
C B:ARG51 4.2 43.6 1.0
CB B:ALA52 4.2 42.3 1.0
MG B:MG1293 4.2 47.1 1.0
OG1 A:THR141 4.4 49.0 1.0
CA B:ARG51 4.4 44.1 1.0
CG B:ARG51 4.6 46.1 1.0
O B:ARG51 4.9 43.3 1.0

Reference:

B.Lohkamp, T.Schweikert, A.J.Lapthorn. The Structure of Histidine Inhibited Hisg From Methanobacterium Thermoautotrophicum To Be Published.
Page generated: Sat Jul 20 11:46:40 2024

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