Iodine in PDB 4wcm: Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori

The structure of Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori, PDB code: 4wcm was solved by A.C.Chan, M.E.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.13 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.600, 66.650, 145.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.1

The structure of Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 43;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori (pdb code 4wcm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 43 binding sites of Iodine where determined in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori, PDB code: 4wcm:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:21.8 occ:0.15 O A:HOH1024 3.2 48.0 1.0 HD3 A:LYS274 3.2 24.0 1.0 HG3 A:GLU307 3.5 28.9 1.0 HH2 A:TRP272 3.5 22.8 1.0 HB2 A:GLU307 3.6 27.3 1.0 HD2 A:LYS274 3.6 24.0 1.0 HB3 A:GLU307 3.7 27.3 1.0 CD A:LYS274 3.9 20.0 1.0 CB A:GLU307 4.0 22.8 1.0 HZ3 A:TRP272 4.1 21.8 1.0 CH2 A:TRP272 4.2 19.0 1.0 HE3 A:LYS280 4.2 26.1 1.0 CG A:GLU307 4.2 24.1 1.0 HE2 A:LYS280 4.2 26.1 1.0 HB3 A:LYS274 4.3 22.0 1.0 HE2 A:LYS274 4.4 25.3 1.0 CZ3 A:TRP272 4.4 18.1 1.0 HB2 A:LYS274 4.6 22.0 1.0 OE2 A:GLU307 4.6 26.0 0.3 CE A:LYS280 4.7 21.8 1.0 HZ1 A:LYS280 4.8 27.2 1.0 CE A:LYS274 4.8 21.1 1.0 CB A:LYS274 4.8 18.3 1.0 CD A:GLU307 4.9 25.0 0.4 HG2 A:GLU307 5.0 28.9 1.0 CG A:LYS274 5.0 19.2 1.0

Iodine binding site 2 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:30.2 occ:1.00 HE A:ARG135 2.9 33.7 1.0 HG21 A:VAL139 3.3 35.0 1.0 O A:HOH666 3.5 42.1 1.0 NE A:ARG135 3.7 28.1 1.0 HH21 A:ARG135 3.9 32.2 1.0 HG11 A:VAL139 4.0 37.8 1.0 HD22 A:LEU143 4.1 28.6 1.0 HG3 A:ARG135 4.1 34.6 1.0 HD2 A:ARG135 4.2 34.0 1.0 CG2 A:VAL139 4.3 29.2 1.0 HG22 A:VAL139 4.4 35.0 1.0 CD A:ARG135 4.5 28.3 1.0 HD13 A:LEU143 4.5 32.0 1.0 NH2 A:ARG135 4.6 26.8 1.0 CZ A:ARG135 4.6 26.8 1.0 CG A:ARG135 4.8 28.8 1.0 HG23 A:VAL139 4.8 35.0 1.0 CG1 A:VAL139 4.8 31.5 1.0 HG13 A:VAL139 5.0 37.8 1.0

Iodine binding site 3 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:48.0 occ:1.00 H A:ASN166 3.0 24.0 1.0 HD2 A:PRO165 3.0 23.3 1.0 HA A:PHE164 3.2 25.4 1.0 HB3 A:ASN166 3.3 24.5 1.0 HD1 A:PHE164 3.3 24.6 1.0 HB2 A:ASN166 3.4 24.5 1.0 HE1 A:PHE170 3.4 21.3 1.0 O A:HOH707 3.4 52.8 1.0 O A:HOH922 3.5 30.0 1.0 HB3 A:PHE164 3.6 24.2 1.0 O A:HOH882 3.6 44.7 1.0 CB A:ASN166 3.7 20.4 1.0 N A:ASN166 3.8 20.0 1.0 CD A:PRO165 3.8 19.4 1.0 CA A:PHE164 3.9 21.2 1.0 HG2 A:PRO165 4.0 24.5 1.0 N A:PRO165 4.0 18.5 1.0 CE1 A:PHE170 4.0 17.8 1.0 C A:PHE164 4.1 21.4 1.0 CB A:PHE164 4.2 20.1 1.0 CD1 A:PHE164 4.2 20.5 1.0 CA A:ASN166 4.4 20.1 1.0 O A:HOH873 4.4 43.2 1.0 CG A:PRO165 4.5 20.4 1.0 HD3 A:PRO165 4.6 23.3 1.0 HD1 A:PHE170 4.6 21.1 1.0 HZ A:PHE170 4.7 20.6 1.0 CG A:PHE164 4.7 20.0 1.0 CD1 A:PHE170 4.7 17.5 1.0 HD22 A:ASN166 4.7 26.1 1.0 CZ A:PHE170 4.8 17.1 1.0 O A:PHE164 4.8 20.8 1.0 C A:PRO165 4.8 18.8 1.0 CA A:PRO165 5.0 19.0 1.0 O A:ASN166 5.0 18.5 1.0

Iodine binding site 4 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:37.0 occ:1.00 HD21 A:ASN267 2.8 28.7 1.0 HZ2 A:LYS329 3.1 24.9 1.0 HD23 A:LEU229 3.1 18.0 1.0 HD2 A:HIS263 3.2 26.3 1.0 HB3 A:LEU229 3.4 17.8 1.0 O A:HOH889 3.5 19.9 1.0 HG21 A:ILE266 3.5 20.0 1.0 ND2 A:ASN267 3.6 23.9 1.0 CD2 A:HIS263 3.8 21.9 1.0 NZ A:LYS329 3.8 20.8 1.0 HZ3 A:LYS329 3.9 24.9 1.0 HD22 A:ASN267 3.9 28.7 1.0 HE3 A:LYS329 4.0 23.5 1.0 HD13 A:ILE266 4.0 18.2 1.0 CD2 A:LEU229 4.0 15.0 1.0 HD12 A:ILE266 4.1 18.2 1.0 HE2 A:HIS263 4.1 27.7 1.0 HB2 A:ALA230 4.2 20.3 1.0 HB A:ILE266 4.2 19.6 1.0 HG22 A:ILE266 4.2 20.0 1.0 CG2 A:ILE266 4.3 16.7 1.0 CB A:LEU229 4.3 14.8 1.0 NE2 A:HIS263 4.3 23.1 1.0 H A:ALA230 4.3 19.3 1.0 HD22 A:LEU229 4.4 18.0 1.0 CE A:LYS329 4.4 19.6 1.0 HZ1 A:LYS329 4.5 24.9 1.0 HA A:HIS263 4.5 24.1 1.0 HG A:LEU229 4.5 17.1 1.0 CD1 A:ILE266 4.5 15.2 1.0 CG A:LEU229 4.6 14.3 1.0 CG A:ASN267 4.6 23.1 1.0 HB2 A:LEU229 4.6 17.8 1.0 HE2 A:LYS329 4.6 23.5 1.0 HD21 A:LEU229 4.7 18.0 1.0 CB A:ILE266 4.7 16.4 1.0 N A:ALA230 4.8 16.1 1.0 OD1 A:ASN267 4.8 21.7 1.0 CG A:HIS263 4.9 21.9 1.0

Iodine binding site 5 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:36.2 occ:1.00 H A:LYS317 2.9 24.1 1.0 HD3 A:PRO302 3.1 31.7 1.0 HB A:ILE301 3.1 30.2 1.0 O A:HOH627 3.1 36.2 1.0 HB2 A:LYS317 3.2 27.6 1.0 HG3 A:PRO302 3.4 31.3 1.0 HG23 A:VAL316 3.5 21.3 1.0 O A:HOH831 3.5 34.2 1.0 HG3 A:LYS317 3.6 28.6 1.0 HA A:VAL316 3.6 20.0 1.0 N A:LYS317 3.7 20.1 1.0 HH21 A:ARG83 3.9 25.9 1.0 CD A:PRO302 3.9 26.4 1.0 CB A:LYS317 4.0 23.0 1.0 CG A:PRO302 4.0 26.1 1.0 HD2 A:LYS317 4.0 31.0 1.0 CB A:ILE301 4.0 25.1 1.0 HG21 A:ILE301 4.1 28.0 1.0 CG A:LYS317 4.2 23.8 1.0 HG2 A:PRO302 4.2 31.3 1.0 HG22 A:VAL316 4.2 21.3 1.0 CG2 A:VAL316 4.3 17.7 1.0 HG22 A:ILE301 4.3 28.0 1.0 CG2 A:ILE301 4.4 23.3 1.0 HG13 A:ILE301 4.4 31.4 1.0 CA A:VAL316 4.4 16.6 1.0 CA A:LYS317 4.5 21.3 1.0 HD2 A:PRO302 4.5 31.7 1.0 NH2 A:ARG83 4.5 21.6 1.0 O A:HOH797 4.5 21.8 1.0 HG12 A:ILE301 4.6 31.4 1.0 C A:VAL316 4.6 17.3 1.0 CD A:LYS317 4.6 25.8 1.0 HH22 A:ARG83 4.6 25.9 1.0 CG1 A:ILE301 4.6 26.2 1.0 H A:ILE301 4.7 33.4 1.0 HB3 A:LYS317 4.8 27.6 1.0 N A:PRO302 4.8 25.3 1.0 O A:HOH662 4.9 31.4 1.0 CB A:VAL316 4.9 16.6 1.0

Iodine binding site 6 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:46.2 occ:0.45 I A:IOD506 0.0 46.2 0.5 I A:IOD506 2.0 72.1 0.5 HZ2 A:LYS325 2.9 20.6 1.0 O A:HOH927 3.1 31.0 1.0 HD2 A:PHE323 3.3 20.8 1.0 HE3 A:LYS325 3.3 20.2 1.0 O A:HOH691 3.5 38.5 1.0 HE2 A:PHE323 3.5 22.2 1.0 HD3 A:LYS325 3.5 19.9 1.0 NZ A:LYS325 3.6 17.2 1.0 HD21 A:ASN84 3.7 22.0 1.0 ND2 A:ASN84 3.8 18.4 1.0 CE A:LYS325 3.8 16.8 1.0 HZ1 A:LYS325 3.9 20.6 1.0 HB2 A:LEU330 4.0 18.8 1.0 CD2 A:PHE323 4.0 17.3 1.0 CG A:ASN84 4.1 17.6 1.0 CE2 A:PHE323 4.1 18.5 1.0 HD22 A:ASN84 4.1 22.0 1.0 CD A:LYS325 4.2 16.6 1.0 OD1 A:ASN84 4.2 17.3 1.0 HD22 A:LEU330 4.3 20.4 1.0 HZ3 A:LYS325 4.4 20.6 1.0 HD13 A:LEU330 4.4 18.4 1.0 HB2 A:ASN84 4.5 20.8 1.0 O A:LEU82 4.5 15.7 1.0 HA A:ARG83 4.5 19.1 1.0 HD2 A:LYS325 4.6 19.9 1.0 HE2 A:LYS325 4.8 20.2 1.0 CB A:ASN84 4.9 17.3 1.0 CB A:LEU330 4.9 15.7 1.0 O A:ASN328 5.0 15.9 1.0

Iodine binding site 7 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:72.1 occ:0.50 I A:IOD506 0.0 72.1 0.5 I A:IOD506 2.0 46.2 0.5 HB2 A:LEU330 2.9 18.8 1.0 HD21 A:ASN84 3.3 22.0 1.0 HE3 A:LYS325 3.4 20.2 1.0 HD22 A:LEU330 3.5 20.4 1.0 ND2 A:ASN84 3.7 18.4 1.0 CB A:LEU330 3.8 15.7 1.0 HD22 A:ASN84 3.8 22.0 1.0 HB3 A:LEU330 3.9 18.8 1.0 HZ2 A:LYS325 4.1 20.6 1.0 O A:ASN328 4.2 15.9 1.0 CE A:LYS325 4.3 16.8 1.0 CD2 A:LEU330 4.3 17.0 1.0 HE2 A:PHE323 4.3 22.2 1.0 HD13 A:LEU330 4.4 18.4 1.0 H A:LEU330 4.4 18.0 1.0 HD23 A:LEU330 4.4 20.4 1.0 HD3 A:LYS325 4.5 19.9 1.0 HD2 A:PHE323 4.5 20.8 1.0 HZ1 A:LYS325 4.5 20.6 1.0 NZ A:LYS325 4.5 17.2 1.0 CG A:ASN84 4.5 17.6 1.0 CG A:LEU330 4.6 15.8 1.0 N A:LEU330 4.6 15.0 1.0 CA A:LEU330 4.7 14.8 1.0 O A:HOH691 4.7 38.5 1.0 HA A:LEU330 4.8 17.8 1.0 O A:HOH901 4.8 39.7 1.0 CD A:LYS325 4.9 16.6 1.0 OD1 A:ASN84 4.9 17.3 1.0 CE2 A:PHE323 4.9 18.5 1.0 CD2 A:PHE323 5.0 17.3 1.0 HD2 A:LYS325 5.0 19.9 1.0 HE2 A:LYS325 5.0 20.2 1.0 O A:HOH834 5.0 25.3 1.0

Iodine binding site 8 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:68.1 occ:0.35 I A:IOD507 0.0 68.1 0.3 I A:IOD507 1.4 54.1 0.6 HD2 A:PRO136 3.0 54.5 1.0 HG2 A:PRO136 3.0 56.0 1.0 HG22 A:VAL137 3.2 54.5 1.0 HB3 A:ARG135 3.2 35.2 1.0 HD2 A:ARG135 3.3 34.0 1.0 H A:VAL137 3.4 48.3 1.0 CG A:PRO136 3.7 46.6 1.0 CD A:PRO136 3.7 45.4 1.0 HG13 A:VAL137 4.1 52.6 1.0 HG3 A:PRO136 4.1 56.0 1.0 CB A:ARG135 4.2 29.4 1.0 CG2 A:VAL137 4.2 45.4 1.0 N A:VAL137 4.2 40.2 1.0 CD A:ARG135 4.2 28.3 1.0 O A:VAL137 4.3 41.1 1.0 HG23 A:VAL139 4.3 35.0 1.0 N A:PRO136 4.4 45.7 1.0 HD3 A:PRO136 4.5 54.5 1.0 HG3 A:ARG135 4.5 34.6 1.0 HG21 A:VAL139 4.6 35.0 1.0 CG A:ARG135 4.6 28.8 1.0 HG21 A:VAL137 4.6 54.5 1.0 HG23 A:VAL137 4.6 54.5 1.0 HG22 A:VAL139 4.6 35.0 1.0 HD3 A:ARG135 4.7 34.0 1.0 HB2 A:ARG135 4.7 35.2 1.0 CG2 A:VAL139 4.7 29.2 1.0 HA A:ARG135 4.8 33.7 1.0 CG1 A:VAL137 4.8 43.9 1.0 CB A:VAL137 4.8 44.3 1.0 CA A:VAL137 4.9 42.2 1.0 CB A:PRO136 4.9 46.8 1.0 CA A:ARG135 4.9 28.1 1.0 C A:ARG135 5.0 28.9 1.0 C A:VAL137 5.0 42.2 1.0 HE A:ARG135 5.0 33.7 1.0

Iodine binding site 9 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:54.1 occ:0.55 I A:IOD507 0.0 54.1 0.6 I A:IOD507 1.4 68.1 0.3 HD2 A:PRO136 3.0 54.5 1.0 HD2 A:ARG135 3.1 34.0 1.0 HG2 A:PRO136 3.3 56.0 1.0 CD A:PRO136 3.8 45.4 1.0 CG A:PRO136 3.8 46.6 1.0 HG3 A:PRO136 3.9 56.0 1.0 HB3 A:ARG135 3.9 35.2 1.0 CD A:ARG135 4.1 28.3 1.0 HD3 A:PRO136 4.3 54.5 1.0 HD3 A:ARG135 4.4 34.0 1.0 H A:VAL137 4.5 48.3 1.0 HG22 A:VAL137 4.5 54.5 1.0 HE A:ARG135 4.6 33.7 1.0 CB A:ARG135 4.7 29.4 1.0 NE A:ARG135 4.8 28.1 1.0 N A:PRO136 4.8 45.7 1.0 CG A:ARG135 4.8 28.8 1.0 NE2 A:HIS190 4.8 23.5 1.0 HA A:ARG135 4.9 33.7 1.0 HG3 A:ARG135 4.9 34.6 1.0

Iodine binding site 10 out of 43 in the Crystal Structure of Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori


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 Cell Shape Determinant Protein CSD4 GLN46HIS Variant From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:I508 b:17.2 occ:0.06 HB3 A:ASP100 3.2 40.8 1.0 HA A:ASP103 3.5 31.5 1.0 O A:HOH1034 3.8 31.8 1.0 HB2 A:ASP103 3.9 29.6 1.0 HB2 A:LYS102 3.9 42.5 1.0 CB A:ASP100 4.0 34.0 1.0 N A:ASP103 4.0 28.4 1.0 CA A:ASP103 4.1 26.3 1.0 HB2 A:ASP100 4.1 40.8 1.0 H A:ASP103 4.2 34.0 1.0 CG A:ASP100 4.2 36.8 1.0 C A:LYS102 4.3 32.5 1.0 OD1 A:ASP100 4.3 36.9 1.0 CB A:ASP103 4.4 24.7 1.0 O A:LYS102 4.5 32.7 1.0 OD2 A:ASP103 4.5 23.5 1.0 HD3 A:PRO104 4.5 31.9 1.0 CB A:LYS102 4.8 35.5 1.0 O A:HOH853 4.9 40.0 1.0 O A:HOH830 4.9 29.1 1.0 OD2 A:ASP100 4.9 39.1 1.0 H A:LYS102 4.9 41.4 1.0 CG A:ASP103 4.9 23.1 1.0

A.C.Chan, K.M.Blair, Y.Liu, E.Frirdich, E.C.Gaynor, M.E.Tanner, N.R.Salama, M.E.Murphy. Helical Shape of Helicobacter Pylori Requires An Atypical Glutamine As A Zinc Ligand in the Carboxypeptidase CSD4 J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.624734