Chlorine in PDB 8ssj: Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2)

All present enzymatic activity of Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2):
2.1.2.1;

The structure of Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2), PDB code: 8ssj was solved by V.N.Drago, A.Kovalevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.65 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	161.609, 161.609, 210.784, 90, 90, 120
R / Rfree (%)	17.2 / 20.5

The binding sites of Chlorine atom in the Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2) (pdb code 8ssj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2), PDB code: 8ssj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:65.5 occ:1.00 OG A:SER76 2.8 66.3 1.0 NE2 A:HIS254 3.5 27.2 1.0 NH1 A:ARG425 3.7 43.7 1.0 C4' A:LLP280 3.8 52.6 1.0 O B:HOH784 3.9 39.6 1.0 OH B:TYR106 3.9 85.2 1.0 CB A:SER76 4.0 20.8 1.0 NH2 A:ARG425 4.0 40.7 1.0 CB A:SER226 4.1 26.3 1.0 NZ A:LLP280 4.1 40.9 1.0 O3 A:LLP280 4.1 45.2 1.0 OG A:SER226 4.2 34.7 1.0 CZ A:ARG425 4.3 36.1 1.0 CD2 A:HIS254 4.3 25.3 1.0 CE1 A:HIS254 4.5 34.2 1.0 C4 A:LLP280 4.6 39.0 1.0 C3 A:LLP280 4.7 31.4 1.0 O B:HOH719 4.9 30.9 1.0 O A:SER226 4.9 35.2 1.0 CD2 A:HIS171 4.9 22.8 1.0 CA A:SER76 5.0 32.6 1.0 CA A:SER226 5.0 28.5 1.0

Chlorine binding site 2 out of 2 in the Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room-Temperature X-Ray Structure of Human Mitochondrial Serine Hydroxymethyltransferase (HSHMT2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:57.7 occ:1.00 NE2 B:HIS254 3.3 33.6 1.0 C4' B:LLP280 3.5 62.6 1.0 NH1 B:ARG425 3.7 42.0 1.0 NZ B:LLP280 3.8 54.2 1.0 O3 B:LLP280 3.8 65.9 1.0 CB B:SER76 3.8 25.8 1.0 OH A:TYR106 4.0 73.7 0.5 OG B:SER76 4.0 40.9 1.0 CB B:SER226 4.0 31.2 1.0 OG B:SER226 4.1 47.4 1.0 CD2 B:HIS254 4.1 28.3 1.0 OH A:TYR106 4.1 70.1 0.5 NH2 B:ARG425 4.2 50.3 1.0 C4 B:LLP280 4.3 47.9 1.0 CE1 B:HIS254 4.3 38.5 1.0 C3 B:LLP280 4.4 43.8 1.0 CZ B:ARG425 4.4 54.2 1.0 O B:SER226 4.7 33.7 1.0 CA B:SER226 4.9 33.8 1.0 CE B:LLP280 4.9 41.0 1.0 CD2 B:HIS171 5.0 40.1 1.0

V.N.Drago, C.Campos, M.Hooper, A.Collins, O.Gerlits, K.L.Weiss, M.P.Blakeley, R.S.Phillips, A.Kovalevsky. Revealing Protonation States and Tracking Substrate in Serine Hydroxymethyltransferase with Room-Temperature X-Ray and Neutron Crystallography. Commun Chem V. 6 162 2023.
ISSN: ESSN 2399-3669
PubMed: 37532884
DOI: 10.1038/S42004-023-00964-9