Chlorine in PDB 7ayb: Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr)

All present enzymatic activity of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr):
1.3.1.104;

The structure of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr), PDB code: 7ayb was solved by M.T.Rahman, M.K.Koski, K.J.Autio, A.J.Kastaniotis, R.K.Wierenga, J.K.Hiltunen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.89 / 1.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.47, 71.47, 145.09, 90, 90, 120
R / Rfree (%)	18.9 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) (pdb code 7ayb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr), PDB code: 7ayb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:57.0 occ:1.00 O A:HOH686 2.3 56.0 1.0 NZ A:LYS316 3.1 41.5 1.0 OG A:SER313 3.1 56.1 1.0 O A:HOH572 3.6 45.1 1.0 CD A:LYS316 3.7 42.3 1.0 N A:SER313 3.8 42.8 1.0 CE A:LYS316 3.8 41.9 1.0 O A:HOH630 3.9 53.1 1.0 CA A:SER313 3.9 44.7 1.0 CD2 A:LEU312 3.9 38.4 1.0 CG A:LEU312 3.9 38.9 1.0 CB A:SER313 4.0 49.6 1.0 O A:HOH574 4.0 59.7 1.0 OD1 A:ASN132 4.1 49.5 1.0 CB A:ALA133 4.2 48.6 1.0 CB A:LEU312 4.2 38.4 1.0 O A:HOH631 4.2 67.8 1.0 C A:LEU312 4.2 41.1 1.0 N A:ALA133 4.2 48.6 1.0 CG2 A:VAL166 4.6 42.7 1.0 CA A:ALA133 4.6 48.1 1.0 O A:LEU312 4.7 42.8 1.0 CG A:LYS316 4.8 42.9 1.0 CA A:LEU312 4.8 39.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:51.7 occ:0.46 O A:HOH599 3.8 61.2 1.0 CD A:ARG308 3.9 38.3 1.0 NH1 A:ARG308 4.0 46.8 1.0 CD A:LYS306 4.2 51.1 1.0 CB A:LYS306 4.4 41.4 1.0 CG A:ARG308 4.6 35.6 1.0 CG A:LYS306 4.7 46.0 1.0 NE A:ARG308 4.7 41.1 1.0 CZ A:ARG308 4.8 44.6 1.0 CE A:LYS306 4.9 52.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:50.0 occ:1.00 ND1 A:HIS235 3.1 52.1 1.0 NZ A:LYS229 3.3 61.1 1.0 N A:VAL236 3.3 45.4 1.0 CA A:HIS235 3.4 46.0 1.0 CB A:HIS235 3.5 46.6 1.0 CE A:LYS229 3.5 57.6 1.0 O A:VAL236 3.6 43.4 1.0 CG A:HIS235 3.7 49.2 1.0 O A:HOH578 3.8 55.3 1.0 C A:HIS235 3.9 43.4 1.0 CE1 A:HIS235 4.3 55.4 1.0 C A:VAL236 4.3 43.1 1.0 CA A:VAL236 4.3 44.1 1.0 O A:GLU234 4.3 44.4 1.0 N A:HIS235 4.6 44.4 1.0 CZ A:PHE251 4.7 68.6 1.0 CE1 A:PHE251 4.7 70.6 1.0 CB A:VAL236 4.8 44.6 1.0 C A:GLU234 4.9 46.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:52.1 occ:1.00 OE2 A:GLU239 2.8 47.6 1.0 O A:HOH697 3.0 67.6 1.0 N A:ALA191 3.2 37.7 1.0 CH3 A:ACY408 3.3 65.5 1.0 C A:VAL215 3.7 44.2 1.0 CD A:GLU239 3.7 50.6 1.0 CA A:VAL215 3.8 41.7 1.0 N A:ARG216 3.8 48.5 1.0 CA A:ALA191 3.8 40.6 1.0 CG A:GLU239 3.8 51.2 1.0 CB A:ASN190 3.9 36.8 1.0 O A:VAL214 3.9 36.2 1.0 CG2 A:VAL264 4.1 47.7 1.0 N A:VAL215 4.2 39.8 1.0 C A:VAL214 4.2 37.4 1.0 O A:VAL215 4.2 46.4 1.0 C A:ASN190 4.2 35.7 1.0 CA A:ASN190 4.4 35.2 1.0 CG1 A:VAL214 4.4 39.0 1.0 CA A:ARG216 4.5 53.0 1.0 C A:ACY408 4.5 67.7 1.0 CB A:ALA191 4.6 42.4 1.0 CB A:ARG216 4.7 61.1 1.0 CG A:ASN190 4.8 36.1 1.0 CB A:VAL214 4.9 37.3 1.0 OE1 A:GLU239 4.9 51.0 1.0 OXT A:ACY408 4.9 56.1 1.0 C A:ALA191 5.0 39.6 1.0

M.T.Rahman, M.K.Koski, K.J.Autio, A.J.Kastaniotis, R.K.Wierenga, J.K.Hiltunen. Crystal Structure of Wild Type Human Mitochondrial 2-Enoyl Thioester Reductase (Mecr) To Be Published.