Atomistry » Chlorine » PDB 3d44-3dgc » 3day
Atomistry »
  Chlorine »
    PDB 3d44-3dgc »
      3day »

Chlorine in PDB 3day: Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp

Enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp

All present enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp:
6.2.1.2;

Protein crystallography data

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp, PDB code: 3day was solved by E.S.Pilka, G.T.Kochan, W.W.Yue, C.Bhatia, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, M.Wikstrom, C.Bountra, U.Oppermann, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.51 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.508, 97.835, 120.415, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 22

Other elements in 3day:

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp (pdb code 3day). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp, PDB code: 3day:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3day

Go back to Chlorine Binding Sites List in 3day
Chlorine binding site 1 out of 3 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp


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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:16.6
occ:1.00
 OG1 A:THR345 2.8 13.2 1.0
O A:HOH1086 3.2 42.7 1.0
NH1 A:ARG316 3.3 22.1 1.0
N A:LEU342 3.3 12.0 1.0
CB A:THR345 3.6 15.2 1.0
CB A:LEU342 3.6 14.6 1.0
CD A:ARG316 3.7 13.9 1.0
CG A:LEU342 3.7 18.6 1.0
CG A:ARG316 3.8 17.6 1.0
CB A:PRO312 3.8 10.1 1.0
CD1 A:LEU342 3.8 22.5 1.0
O A:SER340 3.9 21.1 1.0
CG2 A:THR345 4.0 10.9 1.0
CA A:LEU342 4.1 15.8 1.0
CD1 A:LEU341 4.1 11.1 1.0
CA A:LEU341 4.1 13.8 1.0
C A:LEU341 4.2 15.0 1.0
CZ A:ARG316 4.3 14.0 1.0
NE A:ARG316 4.4 19.9 1.0
O A:PRO312 4.6 14.7 1.0
O A:LEU342 4.6 13.0 1.0
CA A:PRO312 4.7 14.8 1.0
C A:PRO312 4.8 11.3 1.0
C A:SER340 4.9 14.4 1.0
C A:LEU342 4.9 11.8 1.0
CG A:PRO312 4.9 11.2 1.0
CA A:THR345 5.0 15.2 1.0
CG A:LEU341 5.0 10.6 1.0
N A:LEU341 5.0 10.9 1.0

Chlorine binding site 2 out of 3 in 3day

Go back to Chlorine Binding Sites List in 3day
Chlorine binding site 2 out of 3 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp


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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:13.2
occ:1.00
 O A:HOH694 2.9 21.6 1.0
N A:LYS290 3.3 14.6 1.0
O A:HOH853 3.4 14.4 1.0
CD1 A:LEU288 3.5 2.0 0.4
N A:ASP292 3.6 10.0 1.0
C A:LEU288 3.6 13.8 1.0
N A:PHE291 3.6 15.4 1.0
CA A:LEU288 3.6 12.1 0.6
CD A:PRO289 3.6 11.3 1.0
CA A:LEU288 3.6 10.8 0.4
N A:PRO289 3.7 12.5 1.0
CB A:ASP292 3.8 12.5 1.0
CA A:LYS290 3.9 16.2 1.0
CG A:LEU288 3.9 8.4 0.4
CB A:LYS290 3.9 18.0 1.0
C A:LYS290 4.0 19.1 1.0
CG2 A:VAL295 4.0 10.1 1.0
O A:LEU288 4.2 10.9 1.0
CB A:VAL295 4.2 8.8 1.0
CG1 A:VAL295 4.2 11.6 1.0
CG A:PRO289 4.2 14.2 1.0
CA A:ASP292 4.3 12.1 1.0
CB A:LEU288 4.3 13.8 0.6
C A:PRO289 4.3 18.1 1.0
CB A:LEU288 4.4 10.9 0.4
CA A:PHE291 4.4 15.8 1.0
CD2 A:LEU288 4.4 2.0 0.6
C A:PHE291 4.5 15.1 1.0
CA A:PRO289 4.5 17.1 1.0
CG A:LYS290 4.7 22.7 1.0
N A:LEU288 4.8 11.2 1.0
O A:HOH1017 4.8 30.8 1.0
O A:LYS290 4.8 18.5 1.0
O A:ASP292 4.9 11.2 1.0
O A:HOH1212 4.9 17.6 1.0
O A:HOH839 4.9 32.5 1.0

Chlorine binding site 3 out of 3 in 3day

Go back to Chlorine Binding Sites List in 3day
Chlorine binding site 3 out of 3 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp


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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Amp-Cpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:70.0
occ:1.00
 O A:ASP49 3.4 17.3 1.0
CB A:HIS53 3.4 13.5 1.0
O A:HOH1128 3.5 41.3 1.0
O A:SER48 3.7 15.7 1.0
C A:ASP49 3.8 13.6 1.0
O A:HOH1390 3.8 39.0 1.0
CA A:HIS53 3.9 13.0 1.0
N A:HIS53 4.0 13.8 1.0
CA A:ASP49 4.1 16.7 1.0
O A:HOH1260 4.3 43.3 1.0
CG A:HIS53 4.3 29.1 1.0
ND1 A:HIS53 4.5 30.3 1.0
O A:HOH1142 4.5 37.8 1.0
C A:SER48 4.7 10.4 1.0
N A:VAL50 4.7 12.1 1.0
N A:ASP49 4.9 11.1 1.0
C A:ASP52 5.0 12.5 1.0

Reference:

G.Kochan, E.S.Pilka, F.Von Delft, U.Oppermann, W.W.Yue. Structural Snapshots For the Conformation-Dependent Catalysis By Human Medium-Chain Acyl-Coenzyme A Synthetase ACSM2A. J.Mol.Biol. V. 388 997 2009.
ISSN: ISSN 0022-2836
PubMed: 19345228
DOI: 10.1016/J.JMB.2009.03.064
Page generated: Sat Jul 20 18:06:20 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy