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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

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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 Dec 12 09:38:01 2020

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