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Chlorine in PDB 2iub: Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.

Protein crystallography data

The structure of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution., PDB code: 2iub was solved by S.Eshaghi, D.Niegowski, A.Kohl, D.Martinez Molina, S.A.Lesley, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.9
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 116.230, 151.460, 143.320, 90.00, 98.88, 90.00
R / Rfree (%) 26 / 29.1

Other elements in 2iub:

The structure of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. also contains other interesting chemical elements:

Magnesium (Mg) 21 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. (pdb code 2iub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution., PDB code: 2iub:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2iub

Go back to Chlorine Binding Sites List in 2iub
Chlorine binding site 1 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1350

b:50.2
occ:1.00
 OH A:TYR168 3.0 49.5 1.0
N A:ILE160 3.3 65.6 1.0
CD B:PRO14 3.5 62.3 1.0
N A:ILE161 3.6 65.6 1.0
CE2 A:TYR168 3.7 49.2 1.0
CB B:PRO13 3.8 62.3 1.0
CZ A:TYR168 3.8 49.8 1.0
CG1 A:ILE160 3.9 65.3 1.0
CA A:GLY159 3.9 65.4 1.0
CG B:PRO14 4.0 61.6 1.0
NE A:ARG153 4.0 56.4 1.0
C A:GLY159 4.1 65.8 1.0
CB A:ILE161 4.1 64.5 1.0
CA A:ILE160 4.2 65.3 1.0
C A:ILE160 4.3 65.7 1.0
CA A:ILE161 4.3 65.2 1.0
CA B:PRO13 4.3 62.3 1.0
N B:PRO14 4.4 62.0 1.0
NH2 A:ARG153 4.6 56.0 1.0
CB A:ILE160 4.7 65.2 1.0
CG2 A:ILE161 4.7 64.3 1.0
CD A:ARG153 4.7 59.1 1.0
CZ A:ARG153 4.7 55.0 1.0
C B:PRO13 4.8 62.3 1.0
CB B:PRO14 4.8 61.5 1.0
O A:ARG158 4.8 65.4 1.0
OG A:SER172 4.9 46.7 1.0
N A:GLY159 5.0 65.2 1.0
CG B:PRO13 5.0 62.0 1.0

Chlorine binding site 2 out of 7 in 2iub

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Chlorine binding site 2 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1350

b:68.5
occ:1.00
 OH B:TYR168 3.0 49.5 1.0
N B:ILE160 3.4 65.5 1.0
NE B:ARG153 3.7 56.4 1.0
N B:ILE161 3.7 65.5 1.0
CD C:PRO14 3.8 62.2 1.0
CE2 B:TYR168 3.8 49.1 1.0
CB C:PRO13 3.8 62.3 1.0
CZ B:TYR168 3.9 49.5 1.0
CA B:GLY159 3.9 65.4 1.0
CG1 B:ILE160 4.1 65.3 1.0
CB B:ILE161 4.1 64.5 1.0
C B:GLY159 4.2 65.8 1.0
CG C:PRO14 4.3 61.5 1.0
NH2 B:ARG153 4.3 55.8 1.0
CA B:ILE161 4.3 65.2 1.0
CA C:PRO13 4.4 62.4 1.0
CZ B:ARG153 4.4 55.4 1.0
CA B:ILE160 4.4 65.2 1.0
C B:ILE160 4.4 65.7 1.0
CD B:ARG153 4.5 59.0 1.0
CG2 B:ILE161 4.6 64.4 1.0
N C:PRO14 4.7 62.1 1.0
CG C:PRO13 4.8 62.4 1.0
CB B:ILE160 4.9 65.1 1.0
O B:ARG158 4.9 65.6 1.0
OG B:SER172 4.9 46.5 1.0
N B:GLY159 5.0 65.4 1.0
C C:PRO13 5.0 62.2 1.0

Chlorine binding site 3 out of 7 in 2iub

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Chlorine binding site 3 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1350

b:42.9
occ:1.00
 OH D:TYR168 3.0 48.9 1.0
N D:ILE160 3.2 65.5 1.0
N D:ILE161 3.5 65.3 1.0
CE2 D:TYR168 3.7 49.1 1.0
CD A:PRO14 3.8 62.1 1.0
CG1 D:ILE160 3.8 65.2 1.0
CZ D:TYR168 3.8 49.6 1.0
CA D:GLY159 3.8 65.6 1.0
CB A:PRO13 4.0 62.1 1.0
C D:GLY159 4.0 65.7 1.0
CA D:ILE160 4.1 65.3 1.0
NE D:ARG153 4.1 56.1 1.0
CB D:ILE161 4.1 64.4 1.0
C D:ILE160 4.2 65.4 1.0
CA D:ILE161 4.2 65.0 1.0
CG A:PRO14 4.2 61.6 1.0
CA A:PRO13 4.5 62.2 1.0
CB D:ILE160 4.5 65.2 1.0
N A:PRO14 4.7 62.0 1.0
CG2 D:ILE161 4.7 64.5 1.0
CD D:ARG153 4.7 59.4 1.0
NH2 D:ARG153 4.8 56.0 1.0
O D:ARG158 4.8 65.2 1.0
CZ D:ARG153 4.8 54.8 1.0
CD1 D:ILE160 4.9 64.9 1.0
N D:GLY159 4.9 65.3 1.0
CG A:PRO13 4.9 61.9 1.0

Chlorine binding site 4 out of 7 in 2iub

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Chlorine binding site 4 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1351

b:59.3
occ:1.00
 OH E:TYR168 3.0 49.8 1.0
N E:ILE160 3.3 65.6 1.0
CE2 E:TYR168 3.6 49.3 1.0
N E:ILE161 3.6 65.5 1.0
CB D:PRO13 3.7 62.5 1.0
CZ E:TYR168 3.7 50.0 1.0
CD D:PRO14 3.8 62.2 1.0
CG1 E:ILE160 3.8 65.3 1.0
CB E:ILE161 4.0 64.4 1.0
CA E:GLY159 4.0 65.6 1.0
NE E:ARG153 4.0 56.2 1.0
CA E:ILE161 4.2 65.2 1.0
C E:GLY159 4.2 65.8 1.0
CA E:ILE160 4.2 65.3 1.0
CA D:PRO13 4.2 62.5 1.0
C E:ILE160 4.2 65.7 1.0
CG D:PRO14 4.5 61.7 1.0
CG D:PRO13 4.5 62.1 1.0
NH2 E:ARG153 4.5 56.1 1.0
CG2 E:ILE161 4.6 64.7 1.0
N D:PRO14 4.6 62.0 1.0
CB E:ILE160 4.7 65.0 1.0
CZ E:ARG153 4.7 54.9 1.0
CD E:ARG153 4.7 59.5 1.0
OG E:SER172 4.9 46.4 1.0
C D:PRO13 4.9 62.1 1.0
CD2 E:TYR168 4.9 49.4 1.0
O E:ARG158 5.0 65.7 1.0
CD1 E:ILE160 5.0 64.8 1.0

Chlorine binding site 5 out of 7 in 2iub

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Chlorine binding site 5 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1351

b:61.3
occ:1.00
 OH J:TYR168 2.7 49.8 1.0
N J:ILE160 3.4 65.6 1.0
CD I:PRO14 3.6 62.2 1.0
CZ J:TYR168 3.6 49.8 1.0
CE2 J:TYR168 3.7 49.3 1.0
CB I:PRO13 3.8 62.5 1.0
N J:ILE161 3.9 65.5 1.0
CG1 J:ILE160 3.9 65.4 1.0
NE J:ARG153 4.1 56.4 1.0
CA J:GLY159 4.1 65.5 1.0
CG I:PRO14 4.1 61.8 1.0
C J:GLY159 4.3 65.8 1.0
CA J:ILE160 4.4 65.4 1.0
CA I:PRO13 4.4 62.6 1.0
CB J:ILE161 4.5 64.5 1.0
C J:ILE160 4.5 65.6 1.0
NH2 J:ARG153 4.5 56.1 1.0
N I:PRO14 4.5 62.1 1.0
CA J:ILE161 4.5 65.2 1.0
CZ J:ARG153 4.7 55.3 1.0
CB J:ILE160 4.7 65.2 1.0
CD J:ARG153 4.8 59.2 1.0
CG I:PRO13 4.9 62.4 1.0
C I:PRO13 4.9 62.3 1.0
CD1 J:ILE160 4.9 64.8 1.0
OG J:SER172 5.0 46.7 1.0
CE1 J:TYR168 5.0 49.1 1.0
CB I:PRO14 5.0 61.8 1.0

Chlorine binding site 6 out of 7 in 2iub

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Chlorine binding site 6 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1350

b:47.2
occ:1.00
 OH G:TYR168 3.0 49.2 1.0
N G:ILE160 3.0 65.5 1.0
N G:ILE161 3.3 65.2 1.0
CE2 G:TYR168 3.7 49.1 1.0
CG1 G:ILE160 3.7 65.2 1.0
CA G:GLY159 3.8 65.6 1.0
CB H:PRO13 3.8 62.2 1.0
CD H:PRO14 3.8 62.2 1.0
CZ G:TYR168 3.8 49.6 1.0
C G:GLY159 3.9 65.6 1.0
CA G:ILE160 3.9 65.4 1.0
C G:ILE160 3.9 65.5 1.0
CB G:ILE161 4.0 64.4 1.0
CA G:ILE161 4.0 65.1 1.0
NE G:ARG153 4.1 56.0 1.0
CG H:PRO14 4.2 61.7 1.0
CA H:PRO13 4.4 62.4 1.0
CB G:ILE160 4.4 65.1 1.0
CG2 G:ILE161 4.5 64.5 1.0
N H:PRO14 4.6 62.0 1.0
O G:ARG158 4.7 65.5 1.0
CD G:ARG153 4.7 59.4 1.0
CG H:PRO13 4.8 62.1 1.0
NH2 G:ARG153 4.8 55.9 1.0
N G:GLY159 4.9 65.5 1.0
CZ G:ARG153 4.9 54.8 1.0
CD1 G:ILE160 4.9 64.7 1.0
CD2 G:TYR168 5.0 49.3 1.0
C H:PRO13 5.0 62.3 1.0
O G:ILE160 5.0 65.8 1.0

Chlorine binding site 7 out of 7 in 2iub

Go back to Chlorine Binding Sites List in 2iub
Chlorine binding site 7 out of 7 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1351

b:69.5
occ:1.00
 OH H:TYR168 2.9 49.2 1.0
N H:ILE160 3.2 65.6 1.0
N H:ILE161 3.6 65.6 1.0
CD J:PRO14 3.7 62.2 1.0
CG1 H:ILE160 3.7 65.4 1.0
CE2 H:TYR168 3.8 49.1 1.0
CZ H:TYR168 3.8 49.5 1.0
CA H:GLY159 3.9 65.6 1.0
CG J:PRO14 4.0 61.6 1.0
C H:GLY159 4.0 65.9 1.0
CA H:ILE160 4.1 65.3 1.0
NE H:ARG153 4.2 56.3 1.0
C H:ILE160 4.2 65.7 1.0
CB H:ILE161 4.2 64.4 1.0
CB J:PRO13 4.3 62.1 1.0
CA H:ILE161 4.3 65.2 1.0
CB H:ILE160 4.5 65.1 1.0
N J:PRO14 4.6 62.2 1.0
CG2 H:ILE161 4.7 64.4 1.0
CB J:PRO14 4.8 61.7 1.0
NH2 H:ARG153 4.8 56.1 1.0
CA J:PRO13 4.8 62.4 1.0
CD H:ARG153 4.8 59.1 1.0
CZ H:ARG153 4.9 55.3 1.0
CD1 H:ILE160 4.9 64.9 1.0
O H:ARG158 5.0 65.3 1.0

Reference:

S.Eshaghi, D.Niegowski, A.Kohl, D.Martinez Molina, S.A.Lesley, P.Nordlund. Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 Angstrom Resolution. Science V. 313 354 2006.
ISSN: ISSN 0036-8075
PubMed: 16857941
DOI: 10.1126/SCIENCE.1127121
Page generated: Sat Dec 12 09:09:16 2020

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