Atomistry » Magnesium » PDB 3kk2-3ktq » 3kki
Atomistry »
  Magnesium »
    PDB 3kk2-3ktq »
      3kki »

Magnesium in PDB 3kki: Plp-Dependent Acyl-Coa Transferase Cqsa

Protein crystallography data

The structure of Plp-Dependent Acyl-Coa Transferase Cqsa, PDB code: 3kki was solved by R.C.Kelly, P.D.Jeffrey, F.M.Hughson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.81 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.621, 177.443, 70.677, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Plp-Dependent Acyl-Coa Transferase Cqsa (pdb code 3kki). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Plp-Dependent Acyl-Coa Transferase Cqsa, PDB code: 3kki:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3kki

Go back to Magnesium Binding Sites List in 3kki
Magnesium binding site 1 out of 2 in the Plp-Dependent Acyl-Coa Transferase Cqsa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plp-Dependent Acyl-Coa Transferase Cqsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg391

b:37.1
occ:1.00
O A:HOH449 2.6 50.3 1.0
O3 A:PLP390 2.7 21.0 0.6
NH1 A:ARG358 3.3 20.4 1.0
C4A A:PLP390 3.4 21.8 0.6
NE2 A:HIS205 3.8 18.5 1.0
C3 A:PLP390 3.9 20.6 0.6
O4A A:PLP390 3.9 23.1 0.6
CE1 A:HIS205 3.9 19.6 1.0
CB A:SER177 4.0 16.3 1.0
O B:HOH546 4.1 45.9 1.0
NZ A:LYS236 4.1 30.6 1.0
NH2 A:ARG358 4.1 21.2 1.0
C4 A:PLP390 4.2 21.0 0.6
CZ A:ARG358 4.2 20.3 1.0
O A:HOH490 4.3 26.0 1.0
O A:HOH461 4.4 57.0 1.0
NE2 A:HIS133 4.5 23.3 1.0
CE A:LYS236 4.5 24.0 1.0
OD1 A:ASN47 4.6 26.3 1.0
ND2 A:ASN47 4.6 22.2 1.0
CZ A:PHE345 4.6 19.6 1.0
OG A:SER177 4.6 21.0 1.0
CD2 A:HIS133 4.7 24.1 1.0
CE1 A:PHE345 4.9 20.3 1.0
O B:HOH460 4.9 30.1 1.0
CG A:ASN47 4.9 21.6 1.0

Magnesium binding site 2 out of 2 in 3kki

Go back to Magnesium Binding Sites List in 3kki
Magnesium binding site 2 out of 2 in the Plp-Dependent Acyl-Coa Transferase Cqsa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Plp-Dependent Acyl-Coa Transferase Cqsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg391

b:46.9
occ:1.00
O3 B:PLP390 2.6 23.8 0.6
C4A B:PLP390 3.5 24.9 0.6
NH1 B:ARG358 3.5 28.4 1.0
O4A B:PLP390 3.5 26.1 0.6
NE2 B:HIS205 3.6 27.8 1.0
CE1 B:HIS205 3.7 25.0 1.0
C3 B:PLP390 3.8 23.8 0.6
CB B:SER177 3.9 27.4 1.0
NZ B:LYS236 3.9 33.5 1.0
C4 B:PLP390 4.1 23.7 0.6
CE B:LYS236 4.2 25.9 1.0
NH2 B:ARG358 4.3 32.2 1.0
CZ B:ARG358 4.4 31.2 1.0
O B:HOH470 4.4 31.1 1.0
NE2 B:HIS133 4.4 25.1 1.0
OD1 B:ASN47 4.6 30.3 1.0
O B:HOH476 4.6 59.4 1.0
OG B:SER177 4.6 31.0 1.0
CD2 B:HIS133 4.6 25.8 1.0
ND2 B:ASN47 4.7 31.8 1.0
CZ B:PHE345 4.8 31.5 1.0
CD2 B:HIS205 4.9 24.5 1.0
CA B:SER177 4.9 24.6 1.0
CG B:ASN47 4.9 30.6 1.0
C2 B:PLP390 5.0 23.2 0.6

Reference:

R.C.Kelly, M.E.Bolitho, D.A.Higgins, W.Lu, W.L.Ng, P.D.Jeffrey, J.D.Rabinowitz, M.F.Semmelhack, F.M.Hughson, B.L.Bassler. The Vibrio Cholerae Quorum-Sensing Autoinducer Cai-1: Analysis of the Biosynthetic Enzyme Cqsa. Nat.Chem.Biol. V. 5 891 2009.
ISSN: ISSN 1552-4450
PubMed: 19838203
DOI: 10.1038/NCHEMBIO.237
Page generated: Wed Aug 14 18:09:47 2024

Last articles

Ca in 5ULV
Ca in 5ULJ
Ca in 5UK5
Ca in 5ULI
Ca in 5UKH
Ca in 5UG4
Ca in 5UJX
Ca in 5UJK
Ca in 5UJ6
Ca in 5UJP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy