Iodine in PDB 6bxg: 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.

The structure of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide., PDB code: 6bxg was solved by G.Minasov, L.Shuvalova, E.V.Filippova, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.82 / 1.45
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	35.579, 35.579, 118.394, 90.00, 90.00, 120.00
R / Rfree (%)	13.2 / 17.8

The structure of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Pages:

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

Binding sites:

The binding sites of Iodine atom in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. (pdb code 6bxg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 15 binding sites of Iodine where determined in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide., PDB code: 6bxg:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:25.7 occ:0.70 N A:GLU279 3.7 20.0 1.0 CG A:LEU265 4.0 20.9 1.0 N A:LEU265 4.1 17.5 1.0 CB A:GLU279 4.2 23.3 1.0 CA A:SER264 4.2 16.0 1.0 CA A:GLY278 4.3 20.6 1.0 CD1 A:LEU265 4.3 24.0 1.0 C A:SER264 4.4 16.3 1.0 C A:GLY278 4.4 19.2 1.0 CA A:GLU279 4.4 20.8 1.0 CB A:LEU265 4.5 18.7 1.0 O A:HOH517 4.9 33.6 0.5 CA A:LEU265 4.9 16.9 1.0

Iodine binding site 2 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:33.7 occ:0.50 I A:IOD404 0.0 33.7 0.5 I A:IOD404 1.8 44.9 0.3 I A:IOD411 1.9 57.6 0.2 I A:IOD411 3.3 39.9 0.3 CG2 A:VAL293 3.7 22.9 1.0 O A:HOH509 3.8 37.9 0.5 NZ A:LYS317 4.1 28.6 1.0 N A:VAL293 4.7 22.6 1.0 CB A:VAL293 4.7 22.2 1.0 O A:GLU291 4.8 29.4 1.0 CE A:LYS317 4.9 25.7 1.0

Iodine binding site 3 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:44.9 occ:0.30 I A:IOD404 0.0 44.9 0.3 I A:IOD404 1.8 33.7 0.5 NZ A:LYS317 3.3 28.6 1.0 I A:IOD411 3.7 57.6 0.2 CD A:LYS317 3.7 23.0 1.0 CE A:LYS317 4.0 25.7 1.0 CG2 A:VAL293 4.2 22.9 1.0 O A:HOH509 4.9 37.9 0.5

Iodine binding site 4 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:42.0 occ:0.50 I A:IOD405 0.0 42.0 0.5 I A:IOD405 2.4 79.6 0.2 O A:HOH536 3.2 22.9 0.5 NZ A:LYS315 3.7 54.0 1.0 CE A:LYS315 3.7 50.9 1.0 CG A:GLU289 4.0 36.1 1.0 CG A:LYS317 4.0 22.7 1.0 CD A:LYS317 4.0 23.0 1.0 CD A:LYS315 4.2 41.2 1.0 CB A:LYS315 4.3 28.4 1.0 CA A:GLU289 4.3 28.8 1.0 CB A:GLU289 4.3 31.9 1.0 CG2 A:THR333 4.4 26.5 1.0 CD A:GLU289 4.5 39.3 1.0 CE A:LYS317 4.6 25.7 1.0 OG1 A:THR333 4.8 24.6 1.0 OE2 A:GLU289 4.9 45.9 1.0 CG A:LYS315 4.9 33.6 1.0 OE1 A:GLU289 4.9 38.7 1.0 N A:GLY290 4.9 27.9 1.0

Iodine binding site 5 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:79.6 occ:0.20 I A:IOD405 0.0 79.6 0.2 I A:IOD405 2.4 42.0 0.5 OG1 A:THR333 3.1 24.6 1.0 CG2 A:THR333 3.4 26.5 1.0 CB A:THR333 3.8 21.9 1.0 NZ A:LYS315 4.1 54.0 1.0 CG A:LYS317 4.2 22.7 1.0 CD A:LYS317 4.3 23.0 1.0 CE A:LYS315 4.6 50.9 1.0 CD A:LYS315 4.7 41.2 1.0 O A:HOH536 4.7 22.9 0.5 O A:HOH519 4.8 34.4 1.0

Iodine binding site 6 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:42.3 occ:0.40 N A:ASP257 3.3 33.8 1.0 N A:ASP258 3.4 32.8 1.0 CA A:ASP257 3.6 34.2 1.0 CG A:MSE255 4.0 30.2 0.5 C A:ASP257 4.1 33.9 1.0 C A:THR256 4.1 28.3 1.0 CG A:MSE255 4.2 29.7 0.5 OD1 A:ASP258 4.3 45.5 1.0 CA A:ASP258 4.5 32.7 1.0 CA A:THR256 4.5 26.1 1.0 SE A:MSE255 4.7 36.4 0.5 O A:MSE255 4.8 25.0 0.5 OD1 A:ASP257 4.8 43.5 1.0 N A:THR256 4.8 23.8 1.0 O A:MSE255 4.9 24.8 0.5 C A:MSE255 4.9 23.8 0.5 C A:MSE255 4.9 23.7 0.5 O A:HOH571 5.0 71.4 1.0

Iodine binding site 7 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I407 b:35.1 occ:0.40 O A:HOH578 2.8 41.7 1.0 N A:MSE255 3.3 19.8 0.5 N A:MSE255 3.3 20.0 0.5 O A:HOH549 3.8 41.6 1.0 CA A:GLN254 3.9 19.0 1.0 CD2 A:LEU301 3.9 22.2 1.0 C A:GLN254 4.1 19.4 1.0 CB A:MSE255 4.1 25.2 0.5 O A:MSE255 4.2 24.8 0.5 O A:MSE255 4.2 25.0 0.5 CB A:GLN254 4.2 20.2 1.0 CA A:MSE255 4.3 21.8 0.5 CA A:MSE255 4.3 21.9 0.5 CB A:MSE255 4.3 26.4 0.5 C A:MSE255 4.7 23.7 0.5 C A:MSE255 4.7 23.8 0.5 O A:LEU253 4.9 20.4 1.0

Iodine binding site 8 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:0.0 occ:0.40 I A:IOD408 0.0 0.0 0.4 I A:IOD408 2.1 0.4 0.3 OE1 A:GLN306 3.0 34.7 0.5 CB A:LYS309 3.9 22.0 1.0 O A:GLN306 3.9 21.7 0.5 O A:GLN306 4.0 22.4 0.5 O A:HOH532 4.1 43.7 1.0 NE2 A:GLN306 4.1 33.1 0.5 CD A:GLN306 4.1 31.1 0.5 CG A:GLN306 4.2 31.3 0.5 CE A:LYS309 4.3 37.2 1.0 CA A:GLN306 4.4 21.3 0.5 CD A:GLN306 4.5 32.3 0.5 CA A:GLN306 4.5 22.7 0.5 O A:LYS309 4.5 21.9 1.0 C A:LYS309 4.5 19.2 1.0 C A:GLN306 4.6 19.0 0.5 C A:GLN306 4.7 20.3 0.5 CB A:GLN306 4.7 24.5 0.5 CA A:LYS309 4.8 19.2 1.0 N A:GLY310 4.9 20.9 1.0 CB A:GLN306 4.9 25.9 0.5 CG A:LYS309 5.0 25.6 1.0 NE2 A:GLN306 5.0 33.7 0.5

Iodine binding site 9 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:0.4 occ:0.30 I A:IOD408 0.0 0.4 0.3 I A:IOD408 2.1 0.0 0.4 O A:HOH532 3.3 43.7 1.0 CA A:GLY310 4.0 21.1 1.0 N A:GLY310 4.1 20.9 1.0 C A:LYS309 4.3 19.2 1.0 O A:LYS309 4.3 21.9 1.0 I A:IOD410 4.3 52.2 0.4 CB A:LYS309 4.6 22.0 1.0 I A:IOD410 4.7 53.7 0.3 C A:GLY310 4.8 25.6 1.0 O A:GLN306 4.9 21.7 0.5

Iodine binding site 10 out of 15 in the 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy- Terminal Protease From Vibrio Cholerae in Complex with Peptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I409 b:45.2 occ:0.40 N A:LYS325 3.5 34.4 1.0 O A:HOH562 3.8 54.9 1.0 CA A:GLY324 3.8 33.6 1.0 CB A:LYS325 4.2 44.9 1.0 C A:GLY324 4.2 33.3 1.0 CA A:LYS325 4.5 37.1 1.0 N A:GLY324 4.8 32.5 1.0

G.Minasov, L.Shuvalova, E.V.Filippova, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.45 Angstrom Resolution Crystal Structure of Pdz Domain of Carboxy-Terminal Protease From Vibrio Cholerae in Complex with Peptide. To Be Published.