Chlorine in PDB 7vyq: Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate

The binding sites of Chlorine atom in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate (pdb code 7vyq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate, PDB code: 7vyq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:71.7 occ:1.00 CL1 A:83I302 0.0 71.7 1.0 C10 A:83I302 1.8 64.4 1.0 HG A:SER172 2.0 47.1 1.0 H2 A:83I302 2.3 58.7 1.0 H1 A:83I302 2.3 61.1 1.0 OG A:SER172 2.5 47.8 1.0 C08 A:83I302 2.7 64.2 1.0 O03 A:83I302 2.9 60.7 1.0 H4N A:NAP301 3.0 49.1 1.0 HE2 A:TYR187 3.1 47.3 1.0 HB2 A:SER172 3.2 42.5 1.0 OG A:SER174 3.4 48.3 1.0 CB A:SER172 3.4 43.6 1.0 HH A:TYR187 3.4 49.9 1.0 C4N A:NAP301 3.5 48.9 1.0 HG A:SER174 3.5 46.8 1.0 H5N A:NAP301 3.7 45.1 1.0 HG13 A:ILE173 3.7 44.4 1.0 C5N A:NAP301 3.7 47.0 1.0 HD21 A:ASN179 3.7 55.3 1.0 HB3 A:SER172 3.8 43.0 1.0 H A:SER174 3.9 44.0 1.0 CE2 A:TYR187 3.9 47.4 1.0 HG12 A:ILE173 4.1 45.2 1.0 C05 A:83I302 4.1 63.4 1.0 OH A:TYR187 4.2 50.3 1.0 H A:ILE173 4.2 42.8 1.0 H4 A:83I302 4.3 62.2 1.0 CG1 A:ILE173 4.3 45.8 1.0 HE22 A:GLN184 4.3 55.8 1.0 O A:GLY217 4.4 50.9 1.0 HD11 A:ILE173 4.4 44.0 1.0 ND2 A:ASN179 4.5 58.8 1.0 CZ A:TYR187 4.5 48.6 1.0 C6N A:NAP301 4.5 46.4 1.0 H3 A:83I302 4.5 63.1 1.0 C3N A:NAP301 4.6 50.3 1.0 CB A:SER174 4.7 46.2 1.0 N A:SER174 4.7 43.8 1.0 HE1 A:TYR218 4.7 54.6 1.0 CA A:SER172 4.7 40.0 1.0 N A:ILE173 4.7 41.9 1.0 HB2 A:SER174 4.8 45.4 1.0 HA A:SER172 4.8 40.7 1.0 H72N A:NAP301 4.8 52.8 1.0 H6N A:NAP301 4.9 45.7 1.0 OD1 A:ASN179 4.9 56.4 1.0 CD2 A:TYR187 4.9 47.8 1.0 HD2 A:TYR187 4.9 48.7 1.0 HE21 A:GLN184 4.9 55.3 1.0 CD1 A:ILE173 4.9 45.0 1.0 CE1 A:TYR218 5.0 54.6 1.0 NE2 A:GLN184 5.0 55.4 1.0

Chlorine binding site 2 out of 4 in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:72.9 occ:1.00 CL1 B:83I302 0.0 72.9 1.0 C10 B:83I302 1.8 64.5 1.0 HG B:SER172 2.0 47.0 1.0 H2 B:83I302 2.3 61.1 1.0 H1 B:83I302 2.3 58.8 1.0 OG B:SER172 2.5 47.6 1.0 C08 B:83I302 2.7 64.5 1.0 O03 B:83I302 2.9 61.4 1.0 H4N B:NAP301 3.0 48.8 1.0 HE2 B:TYR187 3.1 47.3 1.0 HB2 B:SER172 3.2 42.4 1.0 CB B:SER172 3.4 43.4 1.0 OG B:SER174 3.4 48.6 1.0 HH B:TYR187 3.4 49.6 1.0 C4N B:NAP301 3.5 48.7 1.0 HG B:SER174 3.6 47.0 1.0 H5N B:NAP301 3.6 44.9 1.0 HG13 B:ILE173 3.7 44.3 1.0 C5N B:NAP301 3.7 46.7 1.0 HD21 B:ASN179 3.7 55.4 1.0 HB3 B:SER172 3.8 42.9 1.0 H B:SER174 3.9 43.9 1.0 CE2 B:TYR187 3.9 47.6 1.0 HG12 B:ILE173 4.1 45.0 1.0 C05 B:83I302 4.1 63.5 1.0 OH B:TYR187 4.2 50.0 1.0 H B:ILE173 4.2 42.6 1.0 H4 B:83I302 4.3 62.1 1.0 CG1 B:ILE173 4.3 45.5 1.0 HE22 B:GLN184 4.3 55.6 1.0 O B:GLY217 4.3 50.5 1.0 HD11 B:ILE173 4.4 43.6 1.0 CZ B:TYR187 4.5 48.7 1.0 C6N B:NAP301 4.5 46.4 1.0 ND2 B:ASN179 4.5 59.3 1.0 H3 B:83I302 4.5 63.5 1.0 C3N B:NAP301 4.6 50.3 1.0 HE1 B:TYR218 4.7 54.9 1.0 CA B:SER172 4.7 39.9 1.0 N B:ILE173 4.7 41.8 1.0 N B:SER174 4.7 43.7 1.0 CB B:SER174 4.7 46.1 1.0 HA B:SER172 4.8 40.6 1.0 HB2 B:SER174 4.8 45.5 1.0 H72N B:NAP301 4.8 52.6 1.0 H6N B:NAP301 4.9 45.4 1.0 CD2 B:TYR187 4.9 47.8 1.0 CD1 B:ILE173 4.9 44.8 1.0 HD2 B:TYR187 4.9 48.6 1.0 HE21 B:GLN184 4.9 55.1 1.0 CE1 B:TYR218 5.0 54.8 1.0 NE2 B:GLN184 5.0 55.4 1.0

Chlorine binding site 3 out of 4 in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl302 b:72.1 occ:1.00 CL1 F:83I302 0.0 72.1 1.0 C10 F:83I302 1.8 64.7 1.0 HG F:SER172 2.0 47.1 1.0 H2 F:83I302 2.3 59.0 1.0 H1 F:83I302 2.3 61.5 1.0 OG F:SER172 2.5 47.8 1.0 C08 F:83I302 2.7 64.2 1.0 H4N F:NAP301 2.9 48.4 1.0 O03 F:83I302 2.9 61.0 1.0 HE2 F:TYR187 3.1 46.6 1.0 C4N F:NAP301 3.4 48.3 1.0 OG F:SER174 3.5 47.9 1.0 HH F:TYR187 3.5 49.1 1.0 H5N F:NAP301 3.5 44.6 1.0 HB2 F:SER172 3.5 42.6 1.0 CB F:SER172 3.5 43.5 1.0 C5N F:NAP301 3.6 46.3 1.0 HG F:SER174 3.6 46.5 1.0 HG13 F:ILE173 3.7 44.5 1.0 HD21 F:ASN179 3.7 54.9 1.0 HB3 F:SER172 3.9 43.2 1.0 CE2 F:TYR187 4.0 46.9 1.0 H F:SER174 4.0 43.6 1.0 HG12 F:ILE173 4.1 45.1 1.0 C05 F:83I302 4.1 63.5 1.0 OH F:TYR187 4.2 49.2 1.0 HE22 F:GLN184 4.3 55.6 1.0 H F:ILE173 4.3 42.8 1.0 H4 F:83I302 4.3 62.2 1.0 CG1 F:ILE173 4.3 45.6 1.0 O F:GLY217 4.3 50.3 1.0 HD11 F:ILE173 4.4 43.8 1.0 ND2 F:ASN179 4.5 58.5 1.0 C6N F:NAP301 4.5 46.2 1.0 CZ F:TYR187 4.5 48.1 1.0 C3N F:NAP301 4.5 49.6 1.0 H3 F:83I302 4.5 63.5 1.0 HE1 F:TYR218 4.6 55.0 1.0 CB F:SER174 4.7 46.0 1.0 N F:SER174 4.7 43.4 1.0 N F:ILE173 4.7 42.1 1.0 CA F:SER172 4.8 39.9 1.0 H71N F:NAP301 4.8 52.3 1.0 HA F:SER172 4.8 40.3 1.0 HB2 F:SER174 4.9 45.4 1.0 CE1 F:TYR218 4.9 55.0 1.0 HE21 F:GLN184 4.9 55.1 1.0 H6N F:NAP301 4.9 44.9 1.0 CD1 F:ILE173 4.9 44.8 1.0 NE2 F:GLN184 4.9 55.3 1.0 CD2 F:TYR187 4.9 47.1 1.0 HD2 F:TYR187 4.9 48.0 1.0 HD1 F:TYR218 5.0 51.6 1.0 OD1 F:ASN179 5.0 55.8 1.0 HD22 F:ASN179 5.0 57.9 1.0

Chlorine binding site 4 out of 4 in the Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Short Chain Dehydrogenase (Scr) Cryoem Structure with Nadp and Ethyl 4-Chloroacetoacetate within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:73.3 occ:1.00 CL1 G:83I302 0.0 73.3 1.0 C10 G:83I302 1.8 64.6 1.0 HG G:SER172 2.0 47.3 1.0 H2 G:83I302 2.3 58.8 1.0 H1 G:83I302 2.3 61.3 1.0 OG G:SER172 2.5 47.9 1.0 C08 G:83I302 2.7 64.3 1.0 O03 G:83I302 2.9 61.1 1.0 H4N G:NAP301 3.0 49.0 1.0 HE2 G:TYR187 3.1 47.6 1.0 HB2 G:SER172 3.2 42.4 1.0 OG G:SER174 3.4 48.7 1.0 CB G:SER172 3.4 43.5 1.0 HH G:TYR187 3.4 50.0 1.0 C4N G:NAP301 3.5 49.1 1.0 HG G:SER174 3.5 47.0 1.0 HG13 G:ILE173 3.7 44.4 1.0 H5N G:NAP301 3.7 45.1 1.0 HD21 G:ASN179 3.7 54.8 1.0 C5N G:NAP301 3.7 47.3 1.0 HB3 G:SER172 3.8 43.0 1.0 H G:SER174 3.9 43.9 1.0 CE2 G:TYR187 3.9 47.8 1.0 HG12 G:ILE173 4.1 45.1 1.0 C05 G:83I302 4.1 63.3 1.0 OH G:TYR187 4.2 50.4 1.0 H G:ILE173 4.2 42.8 1.0 H4 G:83I302 4.3 62.0 1.0 CG1 G:ILE173 4.3 45.8 1.0 HE22 G:GLN184 4.3 55.9 1.0 O G:GLY217 4.3 50.0 1.0 HD11 G:ILE173 4.4 43.9 1.0 ND2 G:ASN179 4.5 58.2 1.0 CZ G:TYR187 4.5 48.8 1.0 C6N G:NAP301 4.5 46.7 1.0 H3 G:83I302 4.5 63.4 1.0 C3N G:NAP301 4.6 50.5 1.0 HE1 G:TYR218 4.7 54.7 1.0 CB G:SER174 4.7 46.0 1.0 N G:SER174 4.7 43.6 1.0 CA G:SER172 4.7 40.1 1.0 N G:ILE173 4.7 41.9 1.0 HB2 G:SER174 4.8 45.4 1.0 HA G:SER172 4.8 40.7 1.0 H72N G:NAP301 4.9 52.5 1.0 H6N G:NAP301 4.9 45.6 1.0 CD1 G:ILE173 4.9 44.9 1.0 CD2 G:TYR187 4.9 47.9 1.0 HD2 G:TYR187 4.9 48.8 1.0 HE21 G:GLN184 4.9 55.5 1.0 CE1 G:TYR218 5.0 54.7 1.0 NE2 G:GLN184 5.0 55.8 1.0 OD1 G:ASN179 5.0 55.7 1.0

Y.Li, R.Zhang, C.Wang, F.Forouhar, O.B.Clarke, S.Vorobiev, S.Singh, G.T.Montelione, T.Szyperski, Y.Xu, J.F.Hunt. Oligomeric Interactions Maintain Active-Site Structure in A Noncooperative Enzyme Family. Embo J. V. 41 08368 2022.
ISSN: ESSN 1460-2075
PubMed: 35801308
DOI: 10.15252/EMBJ.2021108368