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Chlorine in PDB 4uov: The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.

Enzymatic activity of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.

All present enzymatic activity of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.:
4.2.1.1;

Protein crystallography data

The structure of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability., PDB code: 4uov was solved by P.James, M.Isupov, C.Sayer, S.Berg, M.Lioliou, H.Kotlar, J.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.01 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 163.750, 283.020, 52.170, 90.00, 90.00, 90.00
R / Rfree (%) 17.181 / 20.404

Other elements in 4uov:

The structure of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. (pdb code 4uov). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability., PDB code: 4uov:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 4uov

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Chlorine binding site 1 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:34.3
occ:0.70
 N A:HIS173 3.3 40.8 1.0
CD2 A:HIS173 3.4 62.9 1.0
O A:HOH2260 3.6 51.6 1.0
O A:HOH2255 3.7 54.2 1.0
CB A:HIS173 3.7 45.4 1.0
CG A:HIS173 3.9 60.0 1.0
CA A:HIS173 4.1 45.6 1.0
CA A:ARG172 4.2 37.6 0.7
CA A:ARG172 4.2 40.1 0.3
C A:ARG172 4.2 46.6 1.0
CD A:ARG172 4.4 43.6 0.3
CD A:ARG172 4.4 41.9 0.7
NE A:ARG172 4.4 39.6 0.7
NE2 A:HIS173 4.7 70.9 1.0
CB A:ARG172 4.7 35.4 0.7
CB A:ARG172 4.7 39.5 0.3
O A:HIS173 4.8 47.9 1.0
C A:HIS173 4.9 44.2 1.0

Chlorine binding site 2 out of 15 in 4uov

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Chlorine binding site 2 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:24.6
occ:0.70
 O A:HOH2143 2.4 38.3 1.0
ND1 A:HIS112 3.4 19.2 1.0
CE1 A:HIS112 3.5 19.8 1.0
NE2 A:GLN110 3.5 21.8 1.0
CG A:HIS112 3.7 19.3 1.0
CE1 A:HIS87 3.7 19.2 0.6
NE2 A:HIS112 3.8 19.4 1.0
CD2 A:HIS112 3.9 18.6 1.0
S2 A:AZM299 4.0 28.8 1.0
C2 A:AZM299 4.1 32.7 1.0
CG2 A:THR88 4.1 21.0 1.0
O3 A:AZM299 4.3 36.6 1.0
C3 A:AZM299 4.3 43.8 1.0
N4 A:AZM299 4.3 36.0 1.0
CD A:GLN110 4.4 20.5 1.0
OE1 A:GLN110 4.4 20.9 1.0
CB A:HIS112 4.5 21.7 1.0
NE2 A:HIS87 4.5 21.8 0.6
CD A:LYS90 4.5 24.9 1.0
C1 A:AZM299 4.6 28.6 1.0
N2 A:AZM299 4.6 31.7 1.0
ND1 A:HIS87 4.7 26.7 0.6
ND2 A:ASN85 4.8 29.0 1.0
NZ A:LYS90 4.8 31.6 1.0
N3 A:AZM299 4.8 31.1 1.0
C4 A:AZM299 5.0 42.9 1.0

Chlorine binding site 3 out of 15 in 4uov

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Chlorine binding site 3 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:37.5
occ:0.60
 OD1 A:ASP179 1.5 37.4 0.3
O A:HOH2120 1.7 22.3 0.4
CG A:ASP179 2.6 38.4 0.3
O A:HOH2119 2.8 49.1 1.0
O A:HOH2262 3.1 37.4 0.6
OD2 A:ASP179 3.3 44.4 0.3
CB A:GLU181 3.3 28.5 0.4
N A:GLU181 3.3 23.9 1.0
CB A:GLU181 3.6 28.2 0.6
C A:ASP179 3.6 29.4 1.0
CB A:ASP179 3.7 33.5 0.3
CA A:ASP179 3.7 32.1 0.3
CA A:ASP179 3.7 32.7 0.7
N A:PRO180 3.7 27.6 1.0
CB A:ASP179 3.7 31.3 0.7
CD A:PRO180 3.8 26.6 1.0
CA A:GLU181 3.9 26.4 0.4
CA A:GLU181 4.0 25.9 0.6
CB A:TYR75 4.0 24.8 1.0
O A:ASP179 4.2 26.2 1.0
C A:PRO180 4.4 25.3 1.0
CG A:PRO180 4.4 32.0 1.0
O A:TYR75 4.4 26.2 1.0
CA A:PRO180 4.5 28.0 1.0
C A:TYR75 4.5 32.9 1.0
CG A:GLU181 4.6 30.6 0.4
O A:HOH2116 4.6 41.8 1.0
OE1 A:GLU181 4.6 35.1 0.4
OE1 A:GLU181 4.7 29.9 0.6
N A:LYS182 4.7 26.2 1.0
CG A:ASP179 4.7 37.6 0.7
C A:GLU181 4.8 26.2 1.0
OD1 A:ASP179 4.8 38.1 0.7
CA A:TYR75 4.9 25.4 1.0
CG A:GLU181 5.0 27.9 0.6

Chlorine binding site 4 out of 15 in 4uov

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Chlorine binding site 4 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:29.6
occ:1.00
 N B:HIS173 3.2 28.9 1.0
O B:HOH2262 3.3 26.9 1.0
O2 B:PG5312 3.6 41.9 0.6
CA B:ARG172 3.8 27.0 1.0
CB B:HIS173 3.9 31.2 0.7
C B:ARG172 4.0 33.7 1.0
CB B:HIS173 4.1 33.0 0.3
C5 B:PG5312 4.1 43.0 0.6
CA B:HIS173 4.1 26.1 0.7
CA B:HIS173 4.2 28.2 0.3
CD B:ARG172 4.2 30.3 1.0
ND1 B:HIS173 4.3 35.2 0.3
CB B:ARG172 4.4 25.6 1.0
C4 B:PG5312 4.4 39.1 0.6
O B:HIS173 4.5 27.5 1.0
CG B:HIS173 4.5 33.7 0.3
C3 B:PG5312 4.5 44.5 0.6
O B:LYS171 4.5 33.9 1.0
O3 B:PG5312 4.7 48.0 0.6
C2 B:PG5312 4.8 41.7 0.6
C B:HIS173 4.8 27.1 1.0
CG B:ARG172 4.8 29.4 1.0
N B:ARG172 4.9 26.7 1.0
NH1 B:ARG172 5.0 31.5 1.0

Chlorine binding site 5 out of 15 in 4uov

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Chlorine binding site 5 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:31.5
occ:0.80
 O B:HOH2146 2.5 47.8 1.0
CE1 B:HIS112 3.4 19.7 1.0
ND1 B:HIS112 3.5 17.2 1.0
NE2 B:GLN110 3.5 20.4 1.0
NE2 B:HIS112 3.7 18.2 1.0
CG B:HIS112 3.8 17.3 1.0
CD2 B:HIS112 3.9 19.1 1.0
S2 B:AZM299 3.9 28.6 1.0
CE1 B:HIS87 4.0 23.9 0.5
C2 B:AZM299 4.0 40.0 1.0
C3 B:AZM299 4.1 56.7 1.0
C4 B:AZM299 4.3 54.1 1.0
N4 B:AZM299 4.3 45.0 1.0
CG2 B:THR88 4.3 18.9 1.0
O3 B:AZM299 4.3 43.9 1.0
CD B:GLN110 4.4 15.5 1.0
C1 B:AZM299 4.4 29.1 1.0
N2 B:AZM299 4.5 36.1 1.0
OE1 B:GLN110 4.5 17.3 1.0
CD B:LYS90 4.5 23.5 1.0
CB B:HIS112 4.6 16.0 1.0
O B:HOH2151 4.7 64.3 1.0
N3 B:AZM299 4.7 33.6 1.0
ND1 B:HIS87 4.9 25.1 0.5
NE2 B:HIS87 4.9 26.9 0.5
NZ B:LYS90 5.0 30.2 1.0

Chlorine binding site 6 out of 15 in 4uov

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Chlorine binding site 6 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:30.8
occ:0.80
 N B:THR175 3.0 33.1 1.0
O B:HOH2250 3.1 30.0 1.0
O B:HOH2246 3.2 26.0 1.0
N B:ALA176 3.2 29.9 1.0
CA B:THR175 3.7 38.1 1.0
NH1 B:ARG162 3.7 32.1 1.0
O B:HOH2263 3.8 37.9 1.0
CB B:THR175 3.8 42.0 1.0
CG1 B:VAL163 3.9 31.2 1.0
C B:THR175 4.0 34.8 1.0
CB B:ALA176 4.0 29.5 1.0
C B:LEU174 4.0 33.6 1.0
CA B:LEU174 4.1 24.0 1.0
CA B:ALA176 4.2 30.6 1.0
O B:HIS173 4.2 27.5 1.0
CG2 B:VAL163 4.5 28.5 1.0
OG1 B:THR175 4.5 34.0 1.0
CD2 B:LEU174 4.6 28.3 1.0
CB B:VAL163 4.8 28.2 1.0
CB B:LEU174 4.9 30.7 1.0
O B:LYS159 4.9 26.0 1.0
CG2 B:THR175 4.9 39.8 1.0

Chlorine binding site 7 out of 15 in 4uov

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Chlorine binding site 7 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:37.5
occ:0.70
 N C:HIS173 3.1 45.0 1.0
CB C:HIS173 3.6 42.4 0.3
CB C:HIS173 3.8 57.5 0.7
O C:HOH2218 3.9 61.2 1.0
CA C:ARG172 3.9 42.0 0.5
CA C:ARG172 3.9 43.0 0.5
CA C:HIS173 4.0 43.5 0.3
C C:ARG172 4.0 47.5 1.0
ND1 C:HIS173 4.0 68.3 0.7
CA C:HIS173 4.0 48.6 0.7
O C:HOH2215 4.1 53.9 1.0
NE C:ARG172 4.1 37.7 0.5
CD C:ARG172 4.1 39.6 0.5
CD C:ARG172 4.2 45.4 0.5
CG C:HIS173 4.4 61.3 0.7
CB C:ARG172 4.5 39.0 0.5
CB C:ARG172 4.5 41.3 0.5
O C:HIS173 4.5 47.5 1.0
O C:LYS171 4.8 47.6 1.0
C C:HIS173 4.8 45.6 1.0
CG C:ARG172 4.9 39.1 0.5
CG C:HIS173 5.0 37.2 0.3

Chlorine binding site 8 out of 15 in 4uov

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Chlorine binding site 8 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:34.5
occ:1.00
 O C:HOH2123 2.4 33.5 1.0
O C:HOH2162 3.2 47.1 1.0
ND1 C:HIS112 3.5 20.9 1.0
NE2 C:GLN110 3.5 20.6 1.0
CE1 C:HIS112 3.5 21.0 1.0
CG C:HIS112 3.7 20.4 1.0
CE1 C:HIS87 3.8 30.3 0.7
NE2 C:HIS112 3.8 21.6 1.0
S2 C:AZM299 3.9 27.6 1.0
CD2 C:HIS112 4.0 20.5 1.0
C2 C:AZM299 4.0 30.2 1.0
CG2 C:THR88 4.1 22.9 1.0
C3 C:AZM299 4.1 36.6 1.0
O3 C:AZM299 4.2 34.4 1.0
N4 C:AZM299 4.2 36.0 1.0
CD C:GLN110 4.4 18.6 1.0
CD C:LYS90 4.4 27.9 1.0
OE1 C:GLN110 4.5 21.6 1.0
CB C:HIS112 4.5 20.3 1.0
N2 C:AZM299 4.5 31.4 1.0
C1 C:AZM299 4.5 25.5 1.0
NE2 C:HIS87 4.6 31.1 0.7
ND2 C:ASN85 4.7 30.8 1.0
C4 C:AZM299 4.7 41.9 1.0
ND1 C:HIS87 4.8 28.8 0.7
N3 C:AZM299 4.8 28.4 1.0
O C:HOH2126 4.8 60.0 1.0
NZ C:LYS90 4.9 33.9 1.0

Chlorine binding site 9 out of 15 in 4uov

Go back to Chlorine Binding Sites List in 4uov
Chlorine binding site 9 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


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 A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl307

b:33.9
occ:0.50
 OD1 C:ASP179 1.6 30.9 0.5
CG C:ASP179 2.6 40.0 0.5
O C:HOH2223 3.2 41.8 0.5
OD2 C:ASP179 3.2 38.5 0.5
CB C:GLU181 3.5 29.8 0.3
N C:GLU181 3.7 27.9 1.0
CB C:GLU181 3.8 27.2 0.7
CB C:TYR75 3.8 27.3 1.0
CB C:ASP179 3.8 34.7 0.5
O C:TYR75 3.9 29.0 1.0
CA C:ASP179 3.9 32.4 0.5
CD C:PRO180 4.0 29.3 1.0
CA C:ASP179 4.0 32.2 0.5
CB C:ASP179 4.0 34.1 0.5
N C:PRO180 4.0 28.8 1.0
C C:ASP179 4.0 29.2 1.0
C C:TYR75 4.1 32.8 1.0
O C:HOH2101 4.1 43.0 1.0
CA C:GLU181 4.2 28.3 0.3
CA C:GLU181 4.3 26.6 0.7
CG C:PRO180 4.5 31.6 1.0
CA C:TYR75 4.5 25.6 1.0
OE1 C:GLU181 4.6 35.5 0.7
N C:VAL76 4.6 32.6 1.0
O C:ASP179 4.7 28.8 1.0
CG C:GLU181 4.7 31.1 0.3
C C:PRO180 4.8 24.6 1.0
CA C:PRO180 4.9 30.8 1.0
CG C:ASP179 4.9 39.6 0.5
C C:VAL76 4.9 43.7 1.0
OD1 C:ASP179 4.9 37.8 0.5
CA C:VAL76 4.9 37.5 1.0
CG C:TYR75 4.9 27.4 1.0
OG C:SER77 5.0 40.6 1.0

Chlorine binding site 10 out of 15 in 4uov

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Chlorine binding site 10 out of 15 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:34.9
occ:1.00
 O D:HOH2090 2.3 34.9 1.0
O D:HOH2119 3.2 52.1 1.0
ND1 D:HIS112 3.5 21.4 1.0
NE2 D:GLN110 3.5 20.0 1.0
CE1 D:HIS112 3.5 24.4 1.0
CG D:HIS112 3.7 25.6 1.0
CE1 D:HIS87 3.8 21.1 0.6
NE2 D:HIS112 3.8 19.8 1.0
CD2 D:HIS112 3.9 22.4 1.0
S2 D:AZM299 4.0 30.3 1.0
C2 D:AZM299 4.0 33.1 1.0
CG2 D:THR88 4.1 21.0 1.0
N4 D:AZM299 4.2 29.8 1.0
O3 D:AZM299 4.3 36.4 1.0
C3 D:AZM299 4.3 36.9 1.0
CD D:GLN110 4.4 18.8 1.0
OE1 D:GLN110 4.4 22.4 1.0
CD D:LYS90 4.4 25.9 1.0
CB D:HIS112 4.4 21.7 1.0
N2 D:AZM299 4.5 33.5 1.0
NE2 D:HIS87 4.5 24.6 0.6
C1 D:AZM299 4.5 28.3 1.0
ND2 D:ASN85 4.7 32.2 1.0
ND1 D:HIS87 4.8 24.9 0.6
N3 D:AZM299 4.8 32.7 1.0
NZ D:LYS90 4.9 31.8 1.0

Reference:

P.James, M.N.Isupov, C.Sayer, V.Saneei, S.Berg, M.Lioliou, H.Kotlar, J.Littlechild. The Structure of A Tetrameric [Alpha]-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides That Contribute to Its Thermostability Acta Crystallogr.,Sect.D V. 70 2607 2014.
ISSN: ISSN 0907-4449
PubMed: 25286845
DOI: 10.1107/S1399004714016526
Page generated: Sat Dec 12 11:15:53 2020

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