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Magnesium 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:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium 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 Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3day

Go back to Magnesium Binding Sites List in 3day
Magnesium 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 Amp-Cpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg601

b:27.3
occ:1.00
 O A:HOH924 2.3 35.5 1.0
O A:HIS485 2.4 10.9 1.0
O A:VAL488 2.6 19.4 1.0
O A:MET483 2.6 19.7 1.0
O A:HOH936 2.7 31.5 1.0
O A:HOH939 2.8 42.6 1.0
C A:HIS485 3.4 15.8 1.0
C A:MET483 3.6 20.2 1.0
C A:VAL488 3.6 12.3 1.0
CA A:PRO486 3.9 19.6 1.0
O A:HOH1106 3.9 63.0 1.0
N A:VAL488 4.0 14.1 1.0
N A:PRO486 4.1 15.2 1.0
C A:PRO486 4.1 18.4 1.0
CA A:VAL488 4.1 8.4 1.0
CA A:MET483 4.2 19.7 1.0
O A:PRO486 4.2 16.2 1.0
N A:HIS485 4.3 16.3 1.0
CB A:VAL488 4.3 9.3 1.0
C A:GLU484 4.3 20.5 1.0
CA A:HIS485 4.5 14.9 1.0
O A:HOH1232 4.6 40.1 1.0
N A:GLU484 4.6 22.5 1.0
O A:GLU484 4.6 23.6 1.0
N A:VAL489 4.7 14.1 1.0
N A:ALA487 4.7 19.9 1.0
O A:LEU482 4.8 18.6 1.0
CA A:GLU484 4.8 24.4 1.0
O A:HOH995 5.0 24.0 1.0

Magnesium binding site 2 out of 2 in 3day

Go back to Magnesium Binding Sites List in 3day
Magnesium 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 Amp-Cpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg602

b:12.9
occ:1.00
 O A:HOH791 2.1 8.0 1.0
O1B A:APC606 2.1 7.3 1.0
O1G A:APC606 2.1 12.1 1.0
O A:HOH1362 2.2 7.4 1.0
O A:HOH1411 2.2 8.7 1.0
O A:HOH1361 2.3 10.0 1.0
PG A:APC606 3.2 10.7 1.0
PB A:APC606 3.3 10.9 1.0
O3G A:APC606 3.6 8.4 1.0
O3B A:APC606 3.6 11.8 1.0
NZ A:LYS229 4.0 14.0 1.0
O A:HOH1412 4.1 19.6 1.0
C3A A:APC606 4.1 13.2 1.0
NH1 A:ARG461 4.2 10.6 1.0
OE2 A:GLU365 4.2 11.3 1.0
O1A A:APC606 4.3 9.7 1.0
O A:HOH1380 4.3 16.0 1.0
OE1 A:GLU365 4.3 11.6 1.0
O2G A:APC606 4.5 10.9 1.0
O2B A:APC606 4.5 10.9 1.0
CE A:LYS229 4.5 9.9 1.0
NE2 A:GLN363 4.6 10.0 1.0
O A:HOH1360 4.7 13.6 1.0
PA A:APC606 4.7 9.8 1.0
C5' A:APC606 4.7 13.4 1.0
O3' A:APC606 4.8 13.4 1.0
CD A:GLU365 4.8 10.0 1.0
O A:HOH1051 4.8 30.9 1.0
CG2 A:THR221 4.9 11.7 1.0
O5' A:APC606 4.9 10.7 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: Wed Aug 14 12:26:15 2024

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