Chlorine in PDB 4i0u: Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution

The structure of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution, PDB code: 4i0u was solved by N.Nordin, A.Guskov, T.Phua, N.Sahaf, Y.Xia, S.Y.Lu, H.Eshaghi, S.Eshaghi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.30 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	116.250, 151.500, 143.360, 90.00, 98.88, 90.00
R / Rfree (%)	22.8 / 28.9

The structure of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

24 atoms

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution (pdb code 4i0u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution, PDB code: 4i0u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:52.6 occ:1.00 NE A:ARG153 2.9 73.6 1.0 N A:ILE160 3.1 71.1 1.0 OH A:TYR168 3.1 54.3 1.0 CD B:PRO14 3.3 53.4 1.0 NH2 A:ARG153 3.5 52.1 1.0 CZ A:ARG153 3.5 67.7 1.0 N A:ILE161 3.5 54.8 1.0 CE2 A:TYR168 3.6 52.3 1.0 CD A:ARG153 3.8 62.5 1.0 CA A:GLY159 3.8 58.3 1.0 CZ A:TYR168 3.8 50.6 1.0 C A:GLY159 3.9 67.3 1.0 CA A:ILE160 3.9 67.0 1.0 CG B:PRO14 3.9 51.3 1.0 C A:ILE160 4.1 61.4 1.0 CB A:ILE160 4.1 71.9 1.0 CB B:PRO13 4.3 52.0 1.0 CA A:ILE161 4.4 58.3 1.0 CB A:ILE161 4.4 51.4 1.0 N B:PRO14 4.6 55.2 1.0 NH1 A:ARG153 4.6 56.0 1.0 CA B:PRO13 4.6 56.1 1.0 O A:ARG158 4.7 67.8 1.0 CG1 A:ILE161 4.7 52.6 1.0 CG1 A:ILE160 4.8 79.0 1.0 CG B:PRO13 4.9 51.4 1.0 CD2 A:TYR168 4.9 54.3 1.0 OG A:SER172 4.9 50.1 1.0 N A:GLY159 5.0 63.9 1.0

Chlorine binding site 2 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:57.4 occ:1.00 N B:ILE160 2.9 38.9 1.0 O B:HOH510 3.1 27.2 1.0 OH B:TYR168 3.3 36.9 1.0 N B:ILE161 3.3 34.3 1.0 CG1 B:ILE160 3.5 41.0 1.0 CD C:PRO14 3.6 31.0 1.0 CA B:GLY159 3.6 45.3 1.0 C B:GLY159 3.7 44.5 1.0 CA B:ILE160 3.8 44.1 1.0 CE2 B:TYR168 3.8 40.0 1.0 CB C:PRO13 3.8 34.0 1.0 C B:ILE160 3.9 45.1 1.0 CZ B:TYR168 4.0 40.3 1.0 CA B:ILE161 4.1 40.0 1.0 CB B:ILE161 4.1 32.3 1.0 CB B:ILE160 4.2 44.7 1.0 CD1 B:ILE160 4.2 41.0 1.0 CD B:ARG153 4.4 39.4 1.0 NE B:ARG153 4.4 36.2 1.0 CG C:PRO14 4.4 32.5 1.0 CA C:PRO13 4.6 37.0 1.0 N C:PRO14 4.7 38.0 1.0 O B:ARG158 4.8 45.1 1.0 O B:GLY159 4.8 47.9 1.0 N B:GLY159 4.9 51.6 1.0 CG C:PRO13 4.9 39.9 1.0 CG2 B:ILE161 4.9 36.3 1.0 CG2 B:ILE160 4.9 42.1 1.0

Chlorine binding site 3 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:50.7 occ:1.00 O A:HOH502 2.9 55.0 1.0 CD B:GLU88 3.2 42.6 1.0 OE2 B:GLU88 3.3 43.3 1.0 O A:HOH504 3.3 51.8 1.0 CD B:LYS9 3.5 59.0 1.0 CG B:GLU88 3.5 43.8 1.0 ND2 B:ASN92 3.6 46.8 1.0 OE1 B:GLU88 3.6 40.1 1.0 O B:HOH501 3.6 41.7 1.0 CE B:LYS9 3.7 51.8 1.0 NZ B:LYS9 3.8 49.4 1.0 CB B:ASN92 3.8 37.9 1.0 CG B:ASN92 4.1 53.2 1.0 O B:GLU88 4.3 42.1 1.0 MG B:MG401 4.4 45.1 1.0 O B:HOH503 4.4 39.7 1.0 CG B:LYS9 4.5 51.2 1.0 CB B:GLU88 4.6 38.0 1.0 CE1 A:HIS257 4.6 45.8 1.0 OD1 B:ASP89 4.7 55.1 1.0 C B:GLU88 4.8 40.0 1.0 MG B:MG402 4.8 39.8 1.0

Chlorine binding site 4 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:41.1 occ:1.00 O C:HOH503 2.4 34.7 1.0 CE C:LYS9 3.2 56.0 1.0 CD C:GLU88 3.3 40.4 1.0 ND2 C:ASN92 3.3 46.5 1.0 OE1 C:GLU88 3.4 44.6 1.0 NZ C:LYS9 3.4 40.8 1.0 CG C:GLU88 3.6 37.2 1.0 OE2 C:GLU88 3.7 42.3 1.0 CB C:ASN92 3.7 29.0 1.0 O C:HOH501 3.7 40.1 1.0 CG C:ASN92 4.0 45.4 1.0 O C:GLU88 4.2 39.2 1.0 MG B:MG403 4.4 45.0 1.0 CB C:GLU88 4.4 32.6 1.0 O C:HOH504 4.6 37.0 1.0 C C:GLU88 4.6 35.0 1.0 CD C:LYS9 4.7 57.9 1.0 MG C:MG401 4.7 53.7 1.0 O C:HOH502 4.8 41.6 1.0 CE1 B:HIS257 4.8 45.0 1.0

Chlorine binding site 5 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:44.6 occ:1.00 OH C:TYR168 3.0 34.2 1.0 CD E:PRO14 3.6 61.8 1.0 CE2 C:TYR168 3.7 40.4 1.0 N C:ILE160 3.8 65.8 1.0 N C:ILE161 3.8 69.3 1.0 CZ C:TYR168 3.9 43.6 1.0 NE C:ARG153 3.9 49.3 1.0 CB C:ILE161 4.0 55.7 1.0 CA C:GLY159 4.2 63.6 1.0 CB E:PRO13 4.2 51.6 1.0 CG1 C:ILE160 4.3 58.3 1.0 CA C:ILE161 4.4 64.8 1.0 C C:GLY159 4.4 69.1 1.0 CD C:ARG153 4.4 52.9 1.0 C C:ILE160 4.5 69.7 1.0 CG E:PRO14 4.5 52.3 1.0 CA C:ILE160 4.6 58.4 1.0 CZ C:ARG153 4.6 57.2 1.0 CA E:PRO13 4.6 52.0 1.0 NH2 C:ARG153 4.6 59.3 1.0 CG2 C:ILE161 4.7 62.9 1.0 N E:PRO14 4.8 66.4 1.0 O C:ARG158 4.9 67.8 1.0 CG E:PRO13 4.9 54.1 1.0 OG C:SER172 5.0 54.9 1.0

Chlorine binding site 6 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:66.5 occ:1.00 ND2 D:ASN92 3.1 48.8 1.0 CD D:GLU88 3.4 58.8 1.0 O D:HOH508 3.4 48.2 1.0 CG D:GLU88 3.4 43.8 1.0 OE1 D:GLU88 3.6 58.5 1.0 CB D:ASN92 3.6 50.9 1.0 NZ D:LYS9 3.7 48.4 1.0 CG D:ASN92 3.8 48.7 1.0 OE2 D:GLU88 3.8 64.7 1.0 CD D:LYS9 3.9 65.6 1.0 CE D:LYS9 4.0 54.4 1.0 O D:HOH517 4.1 44.1 1.0 O D:HOH505 4.3 47.9 1.0 CE1 E:HIS257 4.3 42.5 1.0 NE2 E:HIS257 4.5 47.9 1.0 O E:HOH526 4.5 44.9 1.0 O D:HOH506 4.5 64.6 1.0 MG E:MG402 4.5 56.0 1.0 CG D:LYS9 4.7 63.9 1.0 OD1 D:ASN92 4.9 45.1 1.0 O D:HOH507 4.9 57.2 1.0 CB D:GLU88 4.9 50.7 1.0

Chlorine binding site 7 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl403 b:62.3 occ:1.00 OH E:TYR168 3.1 52.3 1.0 CD D:PRO14 3.2 65.8 1.0 NE E:ARG153 3.2 73.2 1.0 NH2 E:ARG153 3.5 63.6 1.0 N E:ILE160 3.6 85.0 1.0 CZ E:ARG153 3.8 70.6 1.0 CG D:PRO14 3.9 62.6 1.0 CB D:PRO13 4.0 74.1 1.0 N E:ILE161 4.0 80.6 1.0 CZ E:TYR168 4.0 50.4 1.0 CE1 E:TYR168 4.1 54.4 1.0 CA D:PRO13 4.2 71.4 1.0 CD E:ARG153 4.2 71.6 1.0 C E:GLY159 4.3 83.0 1.0 CA E:GLY159 4.3 82.0 1.0 N D:PRO14 4.4 61.6 1.0 CB E:ILE161 4.4 75.8 1.0 CA E:ILE160 4.4 79.4 1.0 C E:ILE160 4.5 78.9 1.0 CB E:ILE160 4.7 84.0 1.0 CA E:ILE161 4.7 77.5 1.0 OG E:SER172 4.8 60.9 1.0 O E:ARG158 4.8 87.4 1.0 C D:PRO13 4.8 64.0 1.0 CG D:PRO13 4.8 75.8 1.0 CG1 E:ILE160 4.9 0.5 1.0 CB D:PRO14 5.0 61.0 1.0 NH1 E:ARG153 5.0 63.0 1.0

Chlorine binding site 8 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:52.4 occ:1.00 O E:HOH503 2.4 48.7 1.0 OE1 E:GLU88 3.1 47.1 1.0 O E:HOH501 3.2 53.8 1.0 CD E:GLU88 3.2 52.5 1.0 ND2 E:ASN92 3.4 50.2 1.0 NZ E:LYS9 3.4 58.5 1.0 OE2 E:GLU88 3.5 53.9 1.0 CE E:LYS9 3.7 55.9 1.0 O C:HOH508 3.8 27.5 1.0 CG E:GLU88 3.8 48.3 1.0 MG C:MG402 4.0 45.4 1.0 CB E:ASN92 4.2 53.2 1.0 CG E:ASN92 4.2 53.2 1.0 CD E:LYS9 4.2 69.4 1.0 CE1 C:HIS257 4.3 49.8 1.0 NE2 C:HIS257 4.4 47.2 1.0 MG E:MG401 4.5 34.0 1.0 O E:HOH504 4.6 46.3 1.0 O E:GLU88 4.7 44.3 1.0 CG E:LYS9 4.9 80.0 1.0 CB E:GLU88 4.9 39.5 1.0

Chlorine binding site 9 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl403 b:60.7 occ:1.00 OH F:TYR168 3.2 59.8 1.0 CD G:PRO14 3.3 61.3 1.0 N F:ILE160 3.6 63.3 1.0 NE F:ARG153 3.7 60.3 1.0 CE2 F:TYR168 3.7 51.6 1.0 CA F:GLY159 3.7 60.9 1.0 N F:ILE161 3.8 66.3 1.0 CG G:PRO14 3.9 60.1 1.0 CZ F:TYR168 3.9 58.7 1.0 CB F:ILE161 4.0 60.8 1.0 C F:GLY159 4.1 64.7 1.0 CB G:PRO13 4.1 56.6 1.0 NH2 F:ARG153 4.2 47.6 1.0 CZ F:ARG153 4.3 53.0 1.0 CA F:ILE161 4.3 63.3 1.0 N G:PRO14 4.4 62.4 1.0 CG1 F:ILE160 4.4 63.3 1.0 CD F:ARG153 4.5 55.0 1.0 OG F:SER172 4.5 50.8 1.0 C F:ILE160 4.5 60.9 1.0 CA G:PRO13 4.5 57.2 1.0 CA F:ILE160 4.5 57.7 1.0 CG1 F:ILE161 4.7 53.2 1.0 CB G:PRO14 4.8 56.9 1.0 N F:GLY159 4.9 63.5 1.0 CG2 F:ILE161 5.0 65.4 1.0 CD2 F:TYR168 5.0 51.0 1.0

Chlorine binding site 10 out of 13 in the Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Improved Structure of Thermotoga Maritima Cora at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl406 b:46.2 occ:1.00 OH G:TYR168 2.4 34.3 1.0 O G:HOH533 2.5 27.2 1.0 N G:ILE160 3.1 32.8 1.0 CZ G:TYR168 3.3 33.7 1.0 CE1 G:TYR168 3.4 25.2 1.0 N G:ILE161 3.5 43.4 1.0 CG1 G:ILE160 3.6 39.6 1.0 CD H:PRO14 3.7 47.5 1.0 CA G:ILE160 3.9 42.1 1.0 CB H:PRO13 4.0 33.5 1.0 C G:GLY159 4.0 38.8 1.0 C G:ILE160 4.0 42.8 1.0 CA G:GLY159 4.1 38.0 1.0 CB G:ILE161 4.2 40.0 1.0 CA G:ILE161 4.2 33.8 1.0 NE G:ARG153 4.3 36.4 1.0 CB G:ILE160 4.4 42.8 1.0 CG H:PRO14 4.4 40.6 1.0 CD G:ARG153 4.5 39.8 1.0 CA H:PRO13 4.6 38.3 1.0 CE2 G:TYR168 4.6 38.5 1.0 N H:PRO14 4.6 44.7 1.0 CG1 G:ILE161 4.7 29.8 1.0 CD1 G:TYR168 4.7 34.1 1.0 O G:ARG158 4.7 29.9 1.0 CD1 G:ILE160 4.9 44.9 1.0 OG G:SER172 4.9 46.3 1.0

N.Nordin, A.Guskov, T.Phua, N.Sahaf, Y.Xia, S.Y.Lu, H.Eshaghi, S.Eshaghi. Exploring the Structure and Function of Thermotoga Maritima Cora Reveals the Mechanism of Gating and Ion Selectivity in CO2+/MG2+ Transport. Biochem.J. V. 451 365 2013.
ISSN: ISSN 0264-6021
PubMed: 23425532
DOI: 10.1042/BJ20121745