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Chlorine in PDB 3b7w: Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation

Enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation

All present enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation:
6.2.1.2;

Protein crystallography data

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation, PDB code: 3b7w was solved by E.S.Pilka, G.T.Kochan, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, 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) 50.00 / 2.00
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 98.426, 109.173, 176.926, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21.4

Other elements in 3b7w:

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation (pdb code 3b7w). 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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation, PDB code: 3b7w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3b7w

Go back to Chlorine Binding Sites List in 3b7w
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation


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, with L64P Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:83.3
occ:1.00
 O A:HOH1153 3.6 42.6 1.0
N A:ARG472 3.7 49.1 1.0
O A:HOH1134 3.9 63.2 1.0
CD1 A:TRP265 4.0 52.7 1.0
CD1 A:TYR471 4.1 54.3 1.0
NE1 A:TRP265 4.1 55.9 1.0
CA A:TYR471 4.2 48.8 1.0
O A:ARG472 4.2 41.4 1.0
CB A:ARG472 4.4 44.4 1.0
C A:TYR471 4.5 45.1 1.0
CA A:ARG472 4.5 45.7 1.0
O A:HOH1157 4.6 50.0 1.0
CB A:TYR471 4.7 47.7 1.0
CG A:TYR471 4.8 52.2 1.0
C A:ARG472 4.9 41.9 1.0
OH A:TYR538 4.9 53.9 1.0
CE1 A:TYR471 4.9 51.2 1.0
O A:HOH1067 4.9 35.8 1.0

Chlorine binding site 2 out of 4 in 3b7w

Go back to Chlorine Binding Sites List in 3b7w
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation


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, with L64P Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:76.2
occ:1.00
 OG1 A:THR345 3.5 37.8 1.0
ND2 A:ASN348 3.5 67.0 1.0
O A:HOH817 3.6 52.4 1.0
CA A:THR345 3.9 31.6 1.0
CD1 A:LEU319 4.1 35.5 1.0
CB A:THR345 4.1 40.2 1.0
N A:THR345 4.2 32.9 1.0
CG A:ARG316 4.3 48.0 1.0
CG2 A:THR345 4.4 37.2 1.0
CG A:GLU344 4.4 49.7 1.0
CD A:ARG316 4.5 49.8 1.0
O A:GLU344 4.6 35.2 1.0
C A:GLU344 4.6 36.1 1.0
CG A:ASN348 4.7 53.3 1.0
CB A:ARG316 4.9 33.6 1.0
CA A:ARG316 4.9 44.2 1.0
CB A:ASN348 4.9 35.6 1.0

Chlorine binding site 3 out of 4 in 3b7w

Go back to Chlorine Binding Sites List in 3b7w
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation


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, with L64P Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:0.3
occ:1.00
 O A:GLN352 3.7 29.0 1.0
C A:GLN352 3.9 30.7 1.0
O A:ALA351 3.9 33.3 1.0
C A:THR353 4.0 32.3 1.0
N A:GLY354 4.1 32.2 1.0
N A:THR353 4.1 35.8 1.0
CA A:THR353 4.2 31.8 1.0
O A:THR353 4.4 31.4 1.0
NZ A:LYS327 4.7 68.2 1.0
CA A:GLN352 4.7 31.5 1.0
CA A:GLY354 4.7 30.8 1.0
O A:HOH895 4.8 52.9 1.0
C A:ALA351 4.8 26.9 1.0
O A:HOH828 4.9 56.7 1.0

Chlorine binding site 4 out of 4 in 3b7w

Go back to Chlorine Binding Sites List in 3b7w
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A, with L64P Mutation


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

b:78.2
occ:1.00
 O A:HOH830 2.3 45.4 1.0
NE A:ARG413 3.8 31.1 1.0
CZ A:ARG413 3.9 31.5 1.0
CD A:ARG413 4.0 30.4 1.0
NH1 A:ARG413 4.1 29.2 1.0
O A:HOH885 4.2 49.1 1.0
NH2 A:ARG413 4.4 30.4 1.0
O A:HOH1130 4.4 34.6 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 16:24:33 2024

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