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Chlorine in PDB 3c5e: Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Atp

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

All present enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Atp:
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 Atp, PDB code: 3c5e was solved by E.S.Pilka, G.T.Kochan, C.Bhatia, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.00 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.700, 98.073, 120.263, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.4

Other elements in 3c5e:

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Atp 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 Atp (pdb code 3c5e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 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 Atp, PDB code: 3c5e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3c5e

Go back to Chlorine Binding Sites List in 3c5e
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Atp


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 Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:11.4
occ:0.50
 O A:LYS290 2.1 30.4 0.5
O A:HOH1002 3.0 22.4 1.0
C A:LYS290 3.1 23.8 0.5
N A:LYS290 3.2 18.1 1.0
O A:HOH1044 3.3 21.2 1.0
CD1 A:LEU288 3.4 18.5 0.4
N A:PHE291 3.6 14.7 0.5
CA A:LYS290 3.6 21.8 0.5
CD A:PRO289 3.7 15.3 1.0
C A:LEU288 3.7 13.9 1.0
CA A:LEU288 3.7 14.0 0.4
N A:PRO289 3.7 13.7 1.0
CA A:LEU288 3.7 16.3 0.6
CA A:LYS290 3.7 18.7 0.5
N A:ASP292 3.7 21.5 1.0
CB A:LYS290 3.8 21.9 1.0
CB A:ASP292 3.8 22.9 1.0
C A:LYS290 3.9 17.9 0.5
CG A:LEU288 4.0 9.7 0.4
CD2 A:LEU288 4.0 17.1 0.6
CG2 A:VAL295 4.1 17.6 1.0
CG A:PRO289 4.2 18.5 1.0
CG1 A:VAL295 4.2 17.3 1.0
CB A:VAL295 4.2 15.6 1.0
O A:LEU288 4.2 16.2 1.0
N A:PHE291 4.3 27.6 0.5
C A:PRO289 4.3 19.7 1.0
CA A:ASP292 4.4 21.2 1.0
CB A:LEU288 4.4 14.1 0.4
CA A:PHE291 4.5 16.9 0.5
CB A:LEU288 4.5 18.6 0.6
CA A:PRO289 4.5 18.8 1.0
CA A:PHE291 4.7 25.8 0.5
C A:PHE291 4.7 22.1 1.0
CG A:LYS290 4.7 25.3 1.0
O A:HOH1097 4.7 32.0 1.0
O A:LYS290 4.8 15.9 0.5
N A:LEU288 4.8 12.9 1.0
CG A:LEU288 4.9 26.6 0.6
O A:HOH1467 4.9 28.9 1.0
CB A:PRO289 5.0 19.5 1.0

Chlorine binding site 2 out of 2 in 3c5e

Go back to Chlorine Binding Sites List in 3c5e
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Atp


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 Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:21.5
occ:1.00
 OG1 A:THR345 2.9 18.0 1.0
N A:LEU342 3.2 17.0 1.0
NH1 A:ARG316 3.4 27.5 1.0
CB A:THR345 3.5 14.3 1.0
CG A:LEU342 3.7 23.6 1.0
CB A:LEU342 3.7 19.1 1.0
CB A:PRO312 3.8 15.8 1.0
CG2 A:THR345 3.9 16.7 1.0
CD A:ARG316 3.9 22.5 1.0
O A:SER340 3.9 21.7 1.0
CD1 A:LEU342 3.9 22.4 1.0
CG A:ARG316 4.0 18.2 1.0
CA A:LEU341 4.0 14.9 1.0
CD1 A:LEU341 4.0 18.2 1.0
CA A:LEU342 4.0 14.2 1.0
C A:LEU341 4.0 15.1 1.0
CZ A:ARG316 4.4 23.5 1.0
O A:HOH1143 4.5 43.5 1.0
NE A:ARG316 4.6 22.4 1.0
O A:LEU342 4.6 17.4 1.0
O A:PRO312 4.7 15.7 1.0
C A:SER340 4.8 21.6 1.0
CA A:PRO312 4.8 14.1 1.0
CG A:PRO312 4.8 18.3 1.0
N A:LEU341 4.8 16.9 1.0
C A:LEU342 4.9 14.8 1.0
CG A:LEU341 4.9 18.9 1.0
C A:PRO312 4.9 14.1 1.0
CA A:THR345 4.9 14.4 1.0
CB A:LEU341 5.0 16.3 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 Dec 12 09:34:22 2020

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