Chlorine in PDB 8qm3: Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

Enzymatic activity of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

Protein crystallography data

Other elements in 8qm3:

Chlorine Binding Sites:

Chlorine binding site 1 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 1 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl614 b:16.7 occ:0.06 N4 A:402601 0.2 16.7 0.9 C4 A:402601 1.4 18.9 0.9 H A:SER232 2.2 22.0 1.0 HB1 A:ALA230 2.6 21.7 1.0 OG A:SER232 2.8 20.7 1.0 HD2 A:PRO231 2.8 22.5 1.0 N A:SER232 3.0 18.3 1.0 HB2 A:CYS503 3.0 18.8 1.0 HB2 A:PRO231 3.0 26.4 1.0 HG2 A:PRO231 3.1 24.8 1.0 HG3 A:PRO354 3.1 17.5 1.0 HA2 A:GLY418 3.2 27.4 1.0 HB2 A:SER232 3.2 22.6 1.0 FE1 A:402601 3.2 17.1 0.9 HG A:SER232 3.3 24.8 1.0 HB3 A:CYS503 3.3 18.8 1.0 CD A:PRO231 3.4 18.8 1.0 HA3 A:GLY418 3.4 27.4 1.0 CB A:SER232 3.4 18.9 1.0 C5 A:402601 3.5 22.1 0.9 N A:PRO231 3.5 17.7 1.0 CG A:PRO231 3.5 20.7 1.0 CB A:CYS503 3.6 15.7 1.0 CB A:PRO231 3.6 22.0 1.0 CB A:ALA230 3.6 18.1 1.0 O5 A:402601 3.7 18.8 0.9 S1 A:402601 3.7 18.6 0.9 CA A:GLY418 3.7 22.9 1.0 CA A:SER232 3.8 17.4 1.0 HD3 A:PRO354 3.8 20.8 1.0 C3 A:402601 3.8 10.6 0.9 CA A:PRO231 3.9 19.8 1.0 C A:PRO231 3.9 17.9 1.0 HB3 A:ALA230 3.9 21.7 1.0 CG A:PRO354 3.9 14.6 1.0 C A:ALA230 4.1 16.8 1.0 HB2 A:ALA230 4.1 21.7 1.0 SG A:CYS503 4.2 17.4 1.0 CD A:PRO354 4.2 17.3 1.0 HD2 A:PRO354 4.2 20.8 1.0 HA A:SER232 4.3 20.9 1.0 HG2 A:PRO354 4.3 17.5 1.0 HD3 A:PRO231 4.3 22.5 1.0 HB3 A:SER232 4.3 22.6 1.0 N A:GLY418 4.4 18.5 1.0 CA A:ALA230 4.4 19.2 1.0 HG3 A:PRO231 4.4 24.8 1.0 HB3 A:PRO231 4.5 26.4 1.0 H A:GLY418 4.5 22.2 1.0 HA A:ALA230 4.6 23.0 1.0 FE2 A:402601 4.7 20.2 0.9 O3 A:402601 4.7 17.2 0.9 H A:VAL233 4.8 22.9 1.0 C7 A:402601 4.8 18.9 0.9 HA A:PRO231 4.8 23.7 1.0 O A:ALA230 4.8 18.1 1.0 CA A:CYS503 4.9 19.4 1.0 C A:GLY418 4.9 18.9 1.0 HB3 A:PHE417 5.0 24.3 1.0 C A:SER232 5.0 20.4 1.0

Chlorine binding site 2 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 2 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl617 b:31.6 occ:1.00 HE A:ARG364 2.6 42.5 1.0 H A:GLN366 2.6 27.7 1.0 HB3 A:ARG364 2.7 21.7 1.0 HH21 A:ARG364 2.8 41.6 1.0 HG3 A:GLN366 3.1 38.3 1.0 HB2 A:GLN366 3.2 42.0 1.0 HD2 A:PRO365 3.2 33.9 1.0 HZ A:PHE570 3.2 33.3 1.0 NE A:ARG364 3.4 35.4 1.0 HG2 A:GLN366 3.4 38.3 1.0 N A:GLN366 3.4 23.1 1.0 CG A:GLN366 3.5 31.9 1.0 NH2 A:ARG364 3.6 34.7 1.0 CB A:ARG364 3.7 18.1 1.0 CB A:GLN366 3.7 35.0 1.0 N A:PRO365 3.8 24.1 1.0 CD A:PRO365 3.9 28.3 1.0 HB2 A:PRO365 3.9 34.1 1.0 CZ A:ARG364 3.9 34.8 1.0 HG2 A:ARG364 4.1 21.3 1.0 CZ A:PHE570 4.1 27.8 1.0 CA A:GLN366 4.1 26.8 1.0 C A:ARG364 4.2 22.9 1.0 HB2 A:ARG364 4.3 21.7 1.0 HH22 A:ARG364 4.3 41.6 1.0 CG A:ARG364 4.3 17.7 1.0 CA A:ARG364 4.4 17.5 1.0 CD A:ARG364 4.4 22.3 1.0 C A:PRO365 4.4 23.9 1.0 HA A:ARG364 4.4 20.9 1.0 CA A:PRO365 4.4 24.9 1.0 CB A:PRO365 4.5 28.5 1.0 O A:HOH1187 4.5 41.5 1.0 H A:MET367 4.6 26.9 1.0 HG2 A:PRO365 4.6 40.7 1.0 HB3 A:GLN366 4.6 42.0 1.0 CG A:PRO365 4.6 33.9 1.0 O A:HOH1059 4.6 46.8 1.0 HD3 A:PRO365 4.6 33.9 1.0 HD3 A:ARG364 4.7 26.7 1.0 HE1 A:PHE570 4.7 29.2 1.0 HG2 A:MET367 4.7 20.2 1.0 O A:ARG364 4.8 19.3 1.0 HE2 A:PHE570 4.9 28.1 1.0 C A:GLN366 4.9 22.1 1.0 CE1 A:PHE570 4.9 24.3 1.0 HA A:GLN366 4.9 32.1 1.0 CD A:GLN366 5.0 43.9 1.0 N A:MET367 5.0 22.4 1.0

Chlorine binding site 3 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 3 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl618 b:37.8 occ:1.00 H A:ALA406 2.5 24.7 1.0 HB3 A:ASP404 2.5 36.6 1.0 HD2 A:PRO405 2.9 33.3 1.0 HB3 A:ALA406 3.1 31.4 1.0 HE1 A:PHE266 3.1 24.2 1.0 HB2 A:ALA406 3.2 31.4 1.0 HE3 A:LYS264 3.3 50.5 1.0 N A:ALA406 3.3 20.6 1.0 CB A:ASP404 3.4 30.5 1.0 CB A:ALA406 3.5 26.1 1.0 N A:PRO405 3.5 26.0 1.0 CD A:PRO405 3.6 27.8 1.0 HE2 A:LYS264 3.6 50.5 1.0 C A:ASP404 3.7 23.8 1.0 O A:HOH1131 3.7 50.6 1.0 HB2 A:ASP404 3.7 36.6 1.0 HA A:ASP404 3.8 29.8 1.0 HZ1 A:LYS264 3.8 51.2 1.0 HG2 A:PRO405 3.8 37.8 1.0 CE A:LYS264 3.8 42.1 1.0 CA A:ASP404 3.9 24.9 1.0 CE1 A:PHE266 4.0 20.1 1.0 CA A:ALA406 4.1 19.5 1.0 HZ A:PHE266 4.1 23.8 1.0 CG A:PRO405 4.2 31.5 1.0 NZ A:LYS264 4.3 42.7 1.0 C A:PRO405 4.3 24.5 1.0 O A:ASP404 4.3 23.0 1.0 HD3 A:PRO405 4.4 33.3 1.0 HB1 A:ALA406 4.4 31.4 1.0 CA A:PRO405 4.5 26.2 1.0 CZ A:PHE266 4.5 19.8 1.0 CG A:ASP404 4.5 39.1 1.0 H A:MET407 4.6 22.8 1.0 HA A:ALA406 4.7 23.4 1.0 HZ2 A:LYS264 4.8 51.2 1.0 OD1 A:ASP404 4.9 39.2 1.0 HG3 A:PRO405 5.0 37.8 1.0 HZ3 A:LYS264 5.0 51.2 1.0

Chlorine binding site 4 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 4 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl614 b:15.3 occ:0.10 N4 B:402601 0.2 15.2 0.9 C4 B:402601 1.2 19.1 0.9 H B:SER232 2.4 17.1 1.0 HB1 B:ALA230 2.8 16.9 1.0 HG B:SER232 2.8 20.9 1.0 HD2 B:PRO231 2.9 21.7 1.0 HB2 B:PRO231 2.9 21.2 1.0 OG B:SER232 3.0 17.5 1.0 HB2 B:CYS503 3.0 17.1 1.0 FE1 B:402601 3.0 15.1 0.9 HA2 B:GLY418 3.1 21.1 1.0 HB3 B:CYS503 3.1 17.1 1.0 N B:SER232 3.1 14.3 1.0 HG3 B:PRO354 3.2 14.0 1.0 HB2 B:SER232 3.2 18.7 1.0 HG2 B:PRO231 3.3 20.9 1.0 C5 B:402601 3.3 14.3 0.9 HA3 B:GLY418 3.3 21.1 1.0 CB B:CYS503 3.4 14.2 1.0 CD B:PRO231 3.4 18.1 1.0 CB B:SER232 3.5 15.6 1.0 CB B:PRO231 3.6 17.7 1.0 N B:PRO231 3.6 14.6 1.0 CG B:PRO231 3.6 17.5 1.0 S1 B:402601 3.6 16.2 0.9 CA B:GLY418 3.6 17.6 1.0 C3 B:402601 3.6 15.7 0.9 CB B:ALA230 3.7 14.1 1.0 O5 B:402601 3.7 16.9 0.9 HB3 B:ALA230 3.9 16.9 1.0 CA B:SER232 3.9 15.4 1.0 HD3 B:PRO354 3.9 19.8 1.0 CA B:PRO231 3.9 14.4 1.0 CG B:PRO354 4.0 11.7 1.0 C B:PRO231 4.0 15.6 1.0 SG B:CYS503 4.0 14.8 1.0 C B:ALA230 4.2 17.1 1.0 HB2 B:ALA230 4.3 16.9 1.0 CD B:PRO354 4.3 16.5 1.0 N B:GLY418 4.3 15.0 1.0 HD2 B:PRO354 4.3 19.8 1.0 HG2 B:PRO354 4.3 14.0 1.0 HD3 B:PRO231 4.4 21.7 1.0 H B:GLY418 4.4 18.0 1.0 HB3 B:SER232 4.4 18.7 1.0 HB3 B:PRO231 4.4 21.2 1.0 HA B:SER232 4.4 18.5 1.0 CA B:ALA230 4.5 14.1 1.0 FE2 B:402601 4.6 16.7 0.9 HG3 B:PRO231 4.6 20.9 1.0 O3 B:402601 4.6 13.3 0.9 HA B:ALA230 4.7 17.0 1.0 C7 B:402601 4.7 13.2 0.9 CA B:CYS503 4.8 14.8 1.0 C B:GLY418 4.8 17.3 1.0 H B:VAL233 4.9 17.4 1.0 HA B:PRO231 4.9 17.3 1.0 HB3 B:PHE417 4.9 17.8 1.0 O B:ALA230 4.9 15.4 1.0 O B:GLY418 4.9 17.6 1.0 C B:CYS503 5.0 15.2 1.0

Chlorine binding site 5 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 5 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl618 b:27.3 occ:1.00 H B:GLN366 2.5 19.4 1.0 HE B:ARG364 2.5 22.2 0.5 HB3 B:ARG364 2.8 23.2 0.5 HB3 B:ARG364 2.8 23.1 0.6 HD2 B:PRO365 2.8 29.0 1.0 HH21 B:ARG364 2.9 24.8 0.5 HB2 B:GLN366 3.1 29.8 1.0 HG2 B:GLN366 3.1 32.7 1.0 HZ B:PHE570 3.3 30.3 1.0 N B:GLN366 3.3 16.1 1.0 NE B:ARG364 3.4 18.5 0.5 O B:HOH1169 3.4 44.0 1.0 CD B:PRO365 3.6 24.1 1.0 HD3 B:ARG364 3.6 24.4 0.6 N B:PRO365 3.7 18.0 1.0 NH2 B:ARG364 3.7 20.7 0.5 HB2 B:PRO365 3.7 30.7 1.0 HH11 B:ARG364 3.7 30.4 0.6 CB B:ARG364 3.7 19.3 0.6 CB B:ARG364 3.7 19.3 0.5 CB B:GLN366 3.7 24.9 1.0 CG B:GLN366 3.8 27.3 1.0 C B:ARG364 4.0 18.6 0.6 CZ B:ARG364 4.0 23.9 0.5 HG3 B:GLN366 4.0 32.7 1.0 C B:ARG364 4.0 18.6 0.5 HG2 B:ARG364 4.0 22.8 0.6 O B:HOH1144 4.1 43.7 1.0 CA B:GLN366 4.1 17.9 1.0 HG2 B:ARG364 4.1 23.0 0.5 CZ B:PHE570 4.2 25.2 1.0 CG B:ARG364 4.2 19.0 0.6 CB B:PRO365 4.3 25.6 1.0 C B:PRO365 4.3 18.4 1.0 CA B:ARG364 4.3 17.4 0.6 HA B:ARG364 4.3 20.9 0.6 CA B:ARG364 4.3 17.4 0.5 CA B:PRO365 4.3 21.0 1.0 HA B:ARG364 4.3 20.9 0.5 HB2 B:ARG364 4.3 23.2 0.5 CG B:ARG364 4.3 19.1 0.5 HG2 B:PRO365 4.3 32.4 1.0 HD3 B:PRO365 4.3 29.0 1.0 HB2 B:ARG364 4.3 23.1 0.6 CG B:PRO365 4.3 27.0 1.0 CD B:ARG364 4.4 20.3 0.6 CD B:ARG364 4.4 20.1 0.5 HH22 B:ARG364 4.4 24.8 0.5 NH1 B:ARG364 4.5 25.3 0.6 H B:MET367 4.5 19.7 1.0 O B:ARG364 4.6 17.0 0.6 HB3 B:GLN366 4.6 29.8 1.0 HE2 B:PHE570 4.6 20.2 1.0 O B:ARG364 4.7 17.2 0.5 HD3 B:ARG364 4.7 24.1 0.5 CE2 B:PHE570 4.9 16.8 1.0 C B:GLN366 4.9 15.9 1.0 HA B:GLN366 4.9 21.5 1.0 HH12 B:ARG364 4.9 30.4 0.6 HD2 B:ARG364 4.9 24.4 0.6 N B:MET367 4.9 16.4 1.0 HG2 B:MET367 5.0 23.4 1.0

Chlorine binding site 6 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 6 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl619 b:31.9 occ:1.00 H B:ALA406 2.6 23.5 1.0 HB3 B:ASP404 2.6 22.3 1.0 O B:HOH1078 2.8 33.3 1.0 HD2 B:PRO405 2.9 27.7 1.0 HB2 B:ALA406 3.2 23.6 1.0 HE1 B:PHE266 3.2 20.6 1.0 HB3 B:ALA406 3.2 23.6 1.0 HE2 B:LYS264 3.3 46.3 1.0 N B:ALA406 3.4 19.6 1.0 CB B:ASP404 3.5 18.6 1.0 CD B:PRO405 3.6 23.1 1.0 CB B:ALA406 3.6 19.7 1.0 N B:PRO405 3.6 20.5 1.0 C B:ASP404 3.7 23.1 1.0 HG2 B:PRO405 3.8 28.7 1.0 HA B:ASP404 3.8 22.4 1.0 CA B:ASP404 3.9 18.6 1.0 HB2 B:ASP404 4.0 22.3 1.0 HZ1 B:LYS264 4.0 68.6 1.0 CE1 B:PHE266 4.0 17.2 1.0 CA B:ALA406 4.1 18.1 1.0 HZ B:PHE266 4.1 20.0 1.0 CE B:LYS264 4.2 38.5 1.0 CG B:PRO405 4.2 23.9 1.0 HZ3 B:LYS264 4.3 68.6 1.0 O B:ASP404 4.3 20.5 1.0 HD3 B:PRO405 4.4 27.7 1.0 NZ B:LYS264 4.4 57.1 1.0 C B:PRO405 4.4 22.0 1.0 HB1 B:ALA406 4.5 23.6 1.0 CZ B:PHE266 4.5 16.7 1.0 CA B:PRO405 4.5 24.2 1.0 H B:MET407 4.5 20.1 1.0 CG B:ASP404 4.6 32.9 1.0 HE3 B:LYS264 4.6 46.3 1.0 OD1 B:ASP404 4.7 33.0 1.0 HA B:ALA406 4.7 21.8 1.0 O B:HOH1062 4.9 50.8 1.0 HG3 B:PRO405 4.9 28.7 1.0

Chlorine binding site 7 out of 7 in 8qm3

Chlorine Binding Sites List in 8qm3

Chlorine binding site 7 out of 7 in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl620 b:27.9 occ:1.00 HE3 B:LYS524 2.2 53.8 1.0 H B:LEU451 2.5 21.4 1.0 HD12 A:LEU65 2.8 39.0 1.0 HZ2 B:LYS524 2.9 52.9 1.0 HA3 B:GLY450 3.1 23.1 1.0 O A:HOH973 3.1 30.2 1.0 CE B:LYS524 3.1 44.9 1.0 HA2 B:GLY450 3.2 23.1 1.0 N B:LEU451 3.3 17.8 1.0 NZ B:LYS524 3.3 44.0 1.0 HG B:LEU451 3.4 25.4 1.0 HZ1 B:LYS524 3.4 52.9 1.0 CA B:GLY450 3.5 19.3 1.0 HB2 B:LEU451 3.5 22.0 1.0 O2 B:GOL609 3.7 41.6 1.0 HB2 A:LEU65 3.7 23.9 1.0 HE2 B:LYS524 3.7 53.8 1.0 CD1 A:LEU65 3.8 32.5 1.0 C B:GLY450 3.9 18.5 1.0 O A:HOH852 4.0 31.1 1.0 CD B:LYS524 4.0 42.8 1.0 HD3 B:LYS524 4.0 51.4 1.0 HD2 B:LYS524 4.1 51.4 1.0 CB B:LEU451 4.1 18.4 1.0 HG A:LEU65 4.1 25.0 1.0 HZ3 B:LYS524 4.1 52.9 1.0 CG B:LEU451 4.2 21.2 1.0 HD11 A:LEU65 4.2 39.0 1.0 H A:LEU65 4.3 24.2 1.0 CA B:LEU451 4.3 15.6 1.0 O B:HOH948 4.3 25.9 1.0 HD13 A:LEU65 4.3 39.0 1.0 O B:HOH928 4.4 20.4 1.0 CG A:LEU65 4.4 20.9 1.0 HD12 B:LEU451 4.4 25.8 1.0 CB A:LEU65 4.5 19.9 1.0 C2 B:GOL609 4.7 45.9 1.0 H B:ASN452 4.7 20.2 1.0 C3 B:GOL609 4.8 35.2 1.0 CD1 B:LEU451 4.8 21.5 1.0 N B:GLY450 4.9 20.0 1.0 OE2 A:GLU67 4.9 51.3 1.0 O B:HOH1151 4.9 31.6 1.0 O B:HOH906 4.9 35.3 1.0 HA B:LEU451 5.0 18.7 1.0

Reference: