Atomistry » Chlorine » PDB 7aw3-7b1o » 7ayb
Atomistry »
  Chlorine »
    PDB 7aw3-7b1o »
      7ayb »

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

Enzymatic activity of 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;

Protein crystallography data

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

Chlorine Binding Sites:

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 7ayb

Go back to Chlorine Binding Sites List in 7ayb
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 7ayb

Go back to Chlorine Binding Sites List in 7ayb
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 7ayb

Go back to Chlorine Binding Sites List in 7ayb
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 7ayb

Go back to Chlorine Binding Sites List in 7ayb
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

Reference:

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.
Page generated: Sat Jul 12 23:00:34 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy