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Chlorine in PDB 2v8t: Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride

Enzymatic activity of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride

All present enzymatic activity of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride, PDB code: 2v8t was solved by S.V.Antonyuk, V.V.Barynin, A.A.Vaguine, W.R.Melik-Adamyan, A.N.Popov, V.S.Lamsin, P.M.Harrison, P.J.Artymiuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 0.98
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 132.070, 132.070, 132.070, 90.00, 90.00, 90.00
R / Rfree (%) 10.1 / 11.7

Other elements in 2v8t:

The structure of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride (pdb code 2v8t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride, PDB code: 2v8t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2v8t

Go back to Chlorine Binding Sites List in 2v8t
Chlorine binding site 1 out of 4 in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1305

b:7.8
occ:0.80
 O A:HOH2504 2.1 11.6 0.2
MN A:MN1303 2.5 7.5 1.0
MN A:MN1304 2.6 7.1 1.0
O A:HOH2503 3.0 7.2 0.2
CL A:CL1306 3.2 8.3 0.8
ND1 A:HIS188 3.3 7.1 1.0
CE1 A:HIS73 3.3 8.1 1.0
ND1 A:HIS73 3.3 7.6 1.0
N A:GLY185 3.4 7.8 1.0
CE1 A:HIS188 3.4 7.7 1.0
CA A:GLY185 3.5 8.1 1.0
C A:ARG184 3.7 7.1 1.0
OE1 A:GLU70 3.7 11.3 1.0
OE1 A:GLU155 3.8 7.5 1.0
O A:HOH2288 3.8 17.3 0.2
CB A:ARG184 3.9 7.1 1.0
O A:HOH2287 3.9 36.1 0.7
OE2 A:GLU36 3.9 8.5 0.8
OE2 A:GLU70 4.0 8.9 1.0
O A:ARG184 4.0 7.6 1.0
O A:LEU181 4.1 8.0 1.0
NZ A:LYS162 4.2 7.7 0.3
CD A:GLU70 4.3 7.5 1.0
CG A:HIS188 4.3 6.5 1.0
OE1 A:GLU36 4.3 9.8 0.2
O A:HOH2290 4.4 14.2 1.0
CA A:ARG184 4.4 6.8 1.0
NE2 A:HIS188 4.5 7.4 1.0
OE1 A:GLU36 4.6 8.0 0.8
NE2 A:HIS73 4.6 8.6 1.0
OE2 A:GLU155 4.7 7.5 1.0
CD A:GLU155 4.7 6.9 1.0
CG A:HIS73 4.7 7.0 1.0
CD A:GLU36 4.8 7.2 0.8
O A:HOH2289 4.8 19.1 0.3
CD2 A:LEU181 4.9 8.7 1.0
C A:GLY185 4.9 7.9 1.0
CD2 A:HIS188 5.0 7.2 1.0
CB A:HIS188 5.0 6.9 1.0

Chlorine binding site 2 out of 4 in 2v8t

Go back to Chlorine Binding Sites List in 2v8t
Chlorine binding site 2 out of 4 in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1306

b:8.3
occ:0.75
 O A:HOH2503 0.9 7.2 0.2
O A:HOH2288 1.7 17.3 0.2
MN A:MN1304 2.5 7.1 1.0
MN A:MN1303 2.6 7.5 1.0
O A:HOH2504 3.2 11.6 0.2
OG1 A:THR39 3.2 8.4 1.0
O A:HOH2084 3.2 12.4 0.7
CL A:CL1305 3.2 7.8 0.8
OE1 A:GLU36 3.3 9.8 0.2
OE2 A:GLU70 3.4 8.9 1.0
CG2 A:THR39 3.4 10.6 1.0
OE2 A:GLU36 3.4 8.5 0.8
OE1 A:GLU36 3.4 8.0 0.8
OE1 A:GLU155 3.5 7.5 1.0
OE2 A:GLU36 3.5 12.0 0.2
CB A:THR39 3.5 7.9 1.0
OE1 A:GLU70 3.6 11.3 1.0
OE2 A:GLU155 3.6 7.5 1.0
CD A:GLU36 3.7 7.2 0.8
CD A:GLU70 3.8 7.5 1.0
CD A:GLU36 3.8 8.8 0.2
CD A:GLU155 3.9 6.9 1.0
O A:HOH2290 3.9 14.2 1.0
O A:HOH2287 4.0 36.1 0.7
NZ A:LYS162 4.1 11.2 0.7
O A:HOH2289 4.3 19.1 0.3
NZ A:LYS162 4.4 7.7 0.3
CB A:ALA158 4.5 8.0 1.0
ND1 A:HIS188 4.7 7.1 1.0
ND1 A:HIS73 4.8 7.6 1.0
CG A:GLU36 4.9 7.9 0.8
CE A:LYS162 5.0 15.7 0.3

Chlorine binding site 3 out of 4 in 2v8t

Go back to Chlorine Binding Sites List in 2v8t
Chlorine binding site 3 out of 4 in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1307

b:9.4
occ:0.90
 O B:HOH2482 2.0 11.1 0.2
MN B:MN1305 2.5 7.8 1.0
MN B:MN1306 2.6 7.4 1.0
O B:HOH2481 3.0 7.9 0.2
CL B:CL1308 3.2 9.3 0.8
ND1 B:HIS188 3.2 7.6 1.0
CE1 B:HIS73 3.3 8.6 1.0
ND1 B:HIS73 3.3 7.9 1.0
N B:GLY185 3.4 8.0 1.0
CE1 B:HIS188 3.4 7.8 1.0
CA B:GLY185 3.5 8.6 1.0
OE1 B:GLU70 3.7 11.9 1.0
C B:ARG184 3.7 7.5 1.0
OE1 B:GLU155 3.8 7.9 1.0
CB B:ARG184 3.9 7.8 1.0
OE2 B:GLU70 3.9 8.9 1.0
OE2 B:GLU36 4.0 10.6 0.8
O B:ARG184 4.0 8.2 1.0
O B:LEU181 4.1 8.4 1.0
O B:HOH2273 4.2 18.5 0.7
CD B:GLU70 4.3 7.4 1.0
CG B:HIS188 4.3 7.0 1.0
OE1 B:GLU36 4.4 6.8 0.1
O B:HOH2264 4.4 10.7 0.5
CA B:ARG184 4.5 7.7 1.0
NE2 B:HIS188 4.5 8.0 1.0
NE2 B:HIS73 4.6 9.1 1.0
OE1 B:GLU36 4.6 9.3 0.8
OE2 B:GLU155 4.7 8.0 1.0
CD B:GLU155 4.7 7.3 1.0
CG B:HIS73 4.7 7.3 1.0
O B:HOH2265 4.7 13.3 0.5
CD B:GLU36 4.8 8.3 0.8
NZ B:LYS162 4.8 11.8 0.2
C B:GLY185 4.9 8.6 1.0
CE B:LYS162 4.9 8.8 0.2
CD2 B:LEU181 4.9 8.9 1.0
CD2 B:HIS188 4.9 7.3 1.0
CB B:HIS188 5.0 6.9 1.0

Chlorine binding site 4 out of 4 in 2v8t

Go back to Chlorine Binding Sites List in 2v8t
Chlorine binding site 4 out of 4 in the Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mn Catalase From Thermus Thermophilus Complexed with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1308

b:9.3
occ:0.80
 O B:HOH2481 0.9 7.9 0.2
MN B:MN1306 2.5 7.4 1.0
MN B:MN1305 2.6 7.8 1.0
O B:HOH2482 3.1 11.1 0.2
OG1 B:THR39 3.2 8.7 1.0
CL B:CL1307 3.2 9.4 0.9
O B:HOH2090 3.2 12.3 0.7
OE2 B:GLU70 3.3 8.9 1.0
OE1 B:GLU36 3.4 9.3 0.8
CG2 B:THR39 3.4 11.1 1.0
OE2 B:GLU36 3.4 10.6 0.8
OE1 B:GLU36 3.4 6.8 0.1
OE1 B:GLU155 3.5 7.9 1.0
CB B:THR39 3.5 8.2 1.0
OE1 B:GLU70 3.6 11.9 1.0
OE2 B:GLU36 3.6 8.4 0.1
OE2 B:GLU155 3.6 8.0 1.0
CD B:GLU36 3.7 8.3 0.8
NZ B:LYS162 3.7 11.8 0.2
CD B:GLU70 3.7 7.4 1.0
O B:HOH2264 3.8 10.7 0.5
CD B:GLU36 3.8 8.3 0.1
CD B:GLU155 3.9 7.3 1.0
NZ B:LYS162 4.1 12.9 0.8
O B:HOH2273 4.4 18.5 0.7
CB B:ALA158 4.6 8.1 1.0
O B:HOH2265 4.6 13.3 0.5
CE B:LYS162 4.7 8.8 0.2
ND1 B:HIS188 4.7 7.6 1.0
ND1 B:HIS73 4.8 7.9 1.0
CG B:GLU36 4.9 8.7 0.8

Reference:

S.V.Antonyuk, W.R.Melik-Adamyan, A.N.Popov, V.S.Lamsin, P.D.Hempstead, P.M.Harrison, P.J.Artymyuk, V.V.Barynin. Three-Dimentional Structure of the Enzyme Dimanganese Catalase From Thermus Thermophilus at 1 Angstrom Resolution Crystallogr.Rep.(Transl. V. 45 105 2000KRISTALLOGRAFIYA).
ISSN: ISSN 1063-7745
Page generated: Sat Jul 20 11:42:20 2024

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