Iodine in PDB 4h8g: Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22

The structure of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22, PDB code: 4h8g was solved by B.Chi, N.R.Zaccai, R.L.Brady, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.40 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.990, 126.800, 127.530, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 28

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 (pdb code 4h8g). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22, PDB code: 4h8g:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:26.8 occ:1.00 I A:PHI22 0.0 26.8 1.0 CZ A:PHI22 2.1 17.1 1.0 O E:HOH117 3.0 25.6 1.0 CE2 A:PHI22 3.0 24.5 1.0 CE1 A:PHI22 3.0 15.8 1.0 CA E:ALA19 3.9 12.3 1.0 N E:ALA19 4.0 10.5 1.0 CG E:LYS18 4.0 11.2 1.0 C E:LYS18 4.1 10.1 1.0 O A:HOH122 4.2 21.7 1.0 O E:LYS18 4.2 9.9 1.0 NZ E:LYS15 4.3 28.5 1.0 CD2 A:PHI22 4.3 17.9 1.0 CB A:ALA26 4.3 15.5 1.0 CB E:LYS18 4.3 10.2 1.0 CD1 A:PHI22 4.4 17.5 1.0 CB E:ALA19 4.4 14.2 1.0 CD E:LYS18 4.4 14.2 1.0 CE E:LYS15 4.8 36.5 1.0 CE E:LYS18 4.8 16.5 1.0 CG A:PHI22 4.8 16.1 1.0 CB E:PHI22 4.9 13.2 1.0 CD E:LYS15 4.9 29.1 1.0 CA E:LYS18 4.9 10.0 1.0 O E:HOH102 5.0 18.9 1.0

Iodine binding site 2 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:22.7 occ:1.00 I B:PHI22 0.0 22.7 1.0 CZ B:PHI22 2.1 17.4 1.0 CE1 B:PHI22 3.0 15.3 1.0 CE2 B:PHI22 3.0 16.2 1.0 CD1 B:PHI22 4.3 12.9 1.0 CD2 B:PHI22 4.3 13.0 1.0 O C:HOH122 4.7 27.3 1.0 O C:HOH121 4.8 38.1 1.0 CG B:PHI22 4.9 10.7 1.0

Iodine binding site 3 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ C:I22 b:45.1 occ:1.00 I C:PHI22 0.0 45.1 1.0 CZ C:PHI22 2.1 26.3 1.0 CE2 C:PHI22 3.1 27.0 1.0 CE1 C:PHI22 3.1 27.8 1.0 CD2 C:PHI22 4.4 18.1 1.0 CD1 C:PHI22 4.4 19.9 1.0 CG C:PHI22 4.9 16.6 1.0

Iodine binding site 4 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ D:I22 b:21.8 occ:1.00 I D:PHI22 0.0 21.8 1.0 CZ D:PHI22 2.1 11.6 1.0 CE1 D:PHI22 3.0 16.8 1.0 CE2 D:PHI22 3.1 14.7 1.0 O D:HOH103 3.2 25.3 1.0 CB D:ALA26 4.0 13.8 1.0 CD1 D:PHI22 4.3 16.9 1.0 O D:HOH129 4.3 39.7 1.0 CD2 D:PHI22 4.4 14.0 1.0 CG D:PHI22 4.8 12.8 1.0

Iodine binding site 5 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ E:I22 b:24.5 occ:1.00 I E:PHI22 0.0 24.5 1.0 CZ E:PHI22 2.1 12.7 1.0 O A:HOH113 2.8 21.2 1.0 CE2 E:PHI22 3.0 19.7 1.0 CE1 E:PHI22 3.0 13.8 1.0 CA A:ALA19 4.0 10.5 1.0 N A:ALA19 4.1 10.3 1.0 CG A:LYS18 4.1 15.7 1.0 CB A:ALA19 4.2 11.6 1.0 CD A:LYS18 4.2 17.2 1.0 O A:HOH119 4.2 35.1 1.0 CD2 E:PHI22 4.3 18.2 1.0 C A:LYS18 4.3 10.3 1.0 CD1 E:PHI22 4.4 13.2 1.0 O A:LYS18 4.4 12.0 1.0 CE A:LYS18 4.5 22.7 1.0 CB A:LYS18 4.7 12.0 1.0 CG E:PHI22 4.8 13.3 1.0 CB A:PHI22 4.8 13.7 1.0 CB E:ALA26 4.9 23.9 1.0 O A:HOH103 4.9 13.5 1.0

Iodine binding site 6 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ F:I22 b:24.5 occ:1.00 I F:PHI22 0.0 24.5 1.0 CZ F:PHI22 2.1 12.3 1.0 CE2 F:PHI22 3.0 16.5 1.0 CE1 F:PHI22 3.0 15.3 1.0 CB F:ALA26 4.2 12.4 1.0 CD2 F:PHI22 4.3 14.9 1.0 CD1 F:PHI22 4.4 15.4 1.0 CG F:PHI22 4.9 14.2 1.0

Iodine binding site 7 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ I:I22 b:28.5 occ:1.00 I I:PHI22 0.0 28.5 1.0 CZ I:PHI22 2.1 19.1 1.0 CE1 I:PHI22 3.0 18.6 1.0 CE2 I:PHI22 3.1 17.5 1.0 CD1 I:PHI22 4.4 18.9 1.0 CD2 I:PHI22 4.4 16.1 1.0 CG I:PHI22 4.9 15.8 1.0

Iodine binding site 8 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ J:I22 b:24.9 occ:1.00 I J:PHI22 0.0 24.9 1.0 CZ J:PHI22 2.1 8.9 1.0 CE2 J:PHI22 2.9 14.6 1.0 CE1 J:PHI22 3.0 9.9 1.0 CD2 J:PHI22 4.3 11.4 1.0 CD1 J:PHI22 4.3 12.1 1.0 O J:HOH109 4.4 40.7 1.0 CG J:PHI22 4.8 9.4 1.0 CB J:ALA26 4.9 18.3 1.0

Iodine binding site 9 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ G:I22 b:22.4 occ:1.00 I G:PHI22 0.0 22.4 1.0 CZ G:PHI22 2.1 14.0 1.0 CE2 G:PHI22 3.0 20.2 1.0 CE1 G:PHI22 3.0 14.6 1.0 O G:HOH118 4.2 28.3 1.0 CD2 G:PHI22 4.3 16.2 1.0 CD1 G:PHI22 4.3 13.8 1.0 O K:HOH137 4.5 31.5 1.0 CG G:PHI22 4.8 14.3 1.0 CB G:ALA26 4.8 16.0 1.0 O G:HOH119 5.0 20.9 1.0

Iodine binding site 10 out of 12 in the Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of A Parallel 6-Helix Coiled Coil Cc-Hex-Il- 22 within 5.0Å range: probe atom residue distance (Å) B Occ H:I22 b:30.0 occ:1.00 I H:PHI22 0.0 30.0 1.0 CZ H:PHI22 2.1 11.7 1.0 CE2 H:PHI22 3.1 21.1 1.0 CE1 H:PHI22 3.1 19.4 1.0 O H:HOH124 4.2 34.5 1.0 CD2 H:PHI22 4.4 17.5 1.0 CD1 H:PHI22 4.4 14.8 1.0 CG H:PHI22 4.9 12.1 1.0

B.Chi, N.R.Zaccai, R.L.Brady, D.N.Woolfson. Tba J.Am.Chem.Soc..
ISSN: ESSN 1520-5126