Chlorine in PDB 7bmt: Hewl in Sodium Chloride

All present enzymatic activity of Hewl in Sodium Chloride:
3.2.1.17;

The structure of Hewl in Sodium Chloride, PDB code: 7bmt was solved by W.Koelmel, J.Kuper, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.13 / 1.47
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.877, 78.877, 36.96, 90, 90, 90
R / Rfree (%)	14.1 / 16.9

The structure of Hewl in Sodium Chloride also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Hewl in Sodium Chloride (pdb code 7bmt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Hewl in Sodium Chloride, PDB code: 7bmt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:9.2 occ:0.97 OH A:TYR41 3.1 6.3 1.0 O A:HOH366 3.2 8.0 1.0 O A:HOH415 3.4 30.4 1.0 CE2 A:TYR41 3.7 5.1 1.0 CZ A:TYR41 3.7 5.7 1.0 CA A:GLY122 4.1 5.8 1.0 O A:ARG39 4.6 8.4 1.0 N A:GLY122 4.6 5.8 1.0 CD2 A:TYR41 4.9 5.1 1.0 CE1 A:TYR41 5.0 5.0 1.0

Chlorine binding site 2 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.8 occ:0.87 O A:HOH398 3.4 33.4 1.0 NZ A:LYS51 3.4 13.6 1.0 CE2 A:PHE56 3.7 7.8 1.0 CZ3 A:TRP141 3.9 10.4 1.0 CE A:LYS51 4.0 12.3 1.0 CD A:ARG23 4.2 11.9 1.0 O A:HOH404 4.2 23.8 1.0 CD A:LYS51 4.2 9.4 1.0 CB A:ARG23 4.3 10.4 1.0 O A:HOH405 4.3 26.7 1.0 CZ A:PHE56 4.3 7.0 1.0 CG A:ARG23 4.6 10.3 1.0 O A:HOH302 4.6 32.0 1.0 CD2 A:PHE56 4.7 7.3 1.0 NE A:ARG23 4.7 12.1 1.0 CE3 A:TRP141 4.7 10.5 1.0 C2 A:EDO218 4.8 24.5 1.0 CH2 A:TRP141 4.8 12.2 1.0

Chlorine binding site 3 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:26.8 occ:0.55 NH1 A:ARG86 2.8 10.2 0.5 NH1 A:ARG86 3.1 7.5 0.5 CD A:ARG86 3.7 9.7 0.5 CD A:ARG86 4.0 7.3 0.5 CZ A:ARG86 4.0 10.2 0.5 CZ A:ARG86 4.2 7.1 0.5 NE A:ARG86 4.3 9.5 0.5 NE A:ARG86 4.5 6.8 0.5 NH1 A:ARG63 4.8 17.5 0.5 CG A:ARG86 5.0 7.7 0.5

Chlorine binding site 4 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:11.6 occ:0.92 O A:HOH454 3.1 19.0 1.0 O A:HOH355 3.2 7.8 1.0 O A:HOH433 3.2 18.8 1.0 N A:THR87 3.2 7.8 1.0 O A:THR87 3.3 9.2 1.0 C A:GLY85 3.5 8.3 1.0 N A:ARG86 3.5 7.5 1.0 O A:HOH353 3.5 23.1 1.0 CA A:GLY85 3.6 7.8 1.0 OG A:SER90 3.6 8.9 1.0 C A:THR87 3.7 7.9 1.0 N A:GLY85 3.7 7.2 1.0 OD1 A:ASN83 3.8 8.6 1.0 CA A:THR87 3.9 7.8 1.0 O A:HOH393 4.0 10.1 1.0 O A:GLY85 4.1 10.5 1.0 CB A:THR87 4.2 7.8 1.0 OD1 A:ASP84 4.3 6.2 1.0 C A:ARG86 4.3 8.0 1.0 CA A:ARG86 4.3 8.1 0.5 CA A:ARG86 4.3 7.7 0.5 N A:PRO88 4.6 7.6 1.0 NA A:NA215 4.7 8.3 1.0 O A:HOH399 4.8 17.4 0.5 C A:ASP84 4.8 7.3 1.0 CB A:SER90 4.9 10.0 1.0 OG1 A:THR87 4.9 8.1 1.0 N A:ASP84 4.9 5.6 1.0 CG A:ASN83 4.9 7.7 1.0

Chlorine binding site 5 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:23.5 occ:0.52 ND2 A:ASN92 3.2 9.3 1.0 CB A:ASN92 3.8 9.1 1.0 O A:HOH439 3.8 29.9 1.0 CB A:ASN83 3.9 6.8 1.0 CG A:ASN92 4.0 8.9 1.0 CG A:ASN83 4.0 7.7 1.0 OD1 A:ASN83 4.4 8.6 1.0 O A:HOH393 4.4 10.1 1.0 O A:HOH456 4.5 34.5 1.0 ND2 A:ASN83 4.5 9.4 1.0 O A:HOH428 4.8 16.2 1.0 O A:HOH353 5.0 23.1 1.0

Chlorine binding site 6 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:18.0 occ:0.55 O A:HOH466 2.7 20.7 1.0 ND2 A:ASN83 3.1 9.4 1.0 CA A:GLY85 3.7 7.8 1.0 N A:GLY85 4.0 7.2 1.0 O A:HOH353 4.1 23.1 1.0 CG A:ASN83 4.1 7.7 1.0 OD1 A:ASN83 4.3 8.6 1.0 C A:ASP84 4.6 7.3 1.0 O A:ASP84 4.9 7.3 1.0 C A:GLY85 5.0 8.3 1.0

Chlorine binding site 7 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:17.4 occ:0.79 O A:HOH428 3.1 16.2 1.0 ND2 A:ASN83 3.2 9.4 1.0 CB A:PRO97 3.7 8.2 1.0 CA A:PRO97 3.8 7.8 1.0 CB A:ASN83 3.8 6.8 1.0 N A:PRO97 3.9 8.3 1.0 CG A:ASN83 4.1 7.7 1.0 CD A:PRO97 4.3 8.8 1.0 O A:ASN83 4.3 6.6 1.0 C A:ILE96 4.5 8.3 1.0 CG A:PRO97 4.5 10.2 1.0 O A:ILE96 4.7 8.3 1.0 ND2 A:ASN92 4.8 9.3 1.0 O A:HOH443 4.8 35.3 1.0 C A:ASN83 4.9 5.5 1.0 CA A:ASN83 5.0 6.3 1.0

Chlorine binding site 8 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:27.8 occ:0.47 O A:HOH377 2.9 17.4 1.0 ND2 A:ASN111 3.5 17.7 1.0 CA A:ALA108 3.7 6.7 1.0 CB A:ALA108 4.0 7.6 1.0 CB A:ASN111 4.0 10.8 1.0 CG A:ASN111 4.3 14.8 1.0 O A:HOH391 4.3 19.5 1.0 N A:ALA108 4.4 6.9 1.0 CG2 A:ILE96 4.4 10.8 1.0 O A:HOH421 4.5 29.9 1.0 O A:THR107 4.5 7.9 1.0 O A:ALA108 4.7 6.7 1.0 C A:THR107 4.7 8.0 1.0 C A:ALA108 4.8 7.0 1.0 CG2 A:THR107 4.8 11.1 1.0 O A:HOH478 5.0 28.9 1.0

Chlorine binding site 9 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:22.6 occ:0.59 N A:ILE106 3.4 7.6 1.0 O A:HOH330 3.5 22.6 1.0 O A:HOH435 3.6 22.2 1.0 CG1 A:ILE106 3.6 9.5 1.0 CA A:ASP105 3.9 9.1 0.5 CE1 A:HIS33 3.9 13.6 1.0 OD1 A:ASP105 4.0 8.2 0.5 CA A:ASP105 4.0 8.8 0.5 O A:SER104 4.0 10.9 1.0 C A:ASP105 4.2 8.1 1.0 CZ A:PHE21 4.2 7.3 1.0 CG2 A:ILE106 4.2 9.0 1.0 CB A:ILE106 4.3 8.0 1.0 CB A:ALA29 4.3 9.5 1.0 O A:HOH367 4.3 28.0 1.0 CA A:ILE106 4.3 7.5 1.0 CG A:ASP105 4.4 10.7 0.5 CD1 A:ILE106 4.6 11.8 1.0 CB A:ASP105 4.6 9.7 0.5 CE2 A:PHE21 4.7 7.2 1.0 ND1 A:HIS33 4.7 13.7 1.0 NE2 A:HIS33 4.7 17.4 1.0 OD2 A:ASP105 4.7 12.9 0.5 OD1 A:ASP105 4.7 9.0 0.5 N A:ASP105 4.9 8.3 1.0 C A:SER104 4.9 9.1 1.0 CG A:ASP105 4.9 9.5 0.5

Chlorine binding site 10 out of 14 in the Hewl in Sodium Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Hewl in Sodium Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:21.2 occ:0.86 O A:HOH413 3.1 32.0 1.0 N A:ASN92 3.2 7.5 1.0 NE A:ARG91 3.3 14.2 1.0 C A:ASN92 3.7 8.3 1.0 CB A:ARG91 3.8 9.1 1.0 O A:ASN92 3.9 9.5 1.0 CA A:ASN92 3.9 7.7 1.0 CD A:ARG91 3.9 13.1 1.0 CA A:ARG91 4.0 8.4 1.0 C A:ARG91 4.0 7.7 1.0 CD2 A:LEU93 4.2 13.9 1.0 CZ A:ARG91 4.2 12.2 1.0 NH1 A:ARG91 4.2 16.4 1.0 CB A:ASN92 4.2 9.1 1.0 N A:LEU93 4.3 8.7 1.0 CG A:ARG91 4.4 10.9 1.0 O A:HOH439 4.7 29.9 1.0 CA A:LEU93 4.8 9.9 1.0 CG A:LEU93 4.9 12.2 1.0

W.Koelmel, J.Kuper, C.Kisker. Cesium Based Phasing of Macromolecules: A General Easy to Use Approach For Solving the Phase Problem. Sci Rep V. 11 17038 2021.
ISSN: ESSN 2045-2322
PubMed: 34426585
DOI: 10.1038/S41598-021-95186-1