Atomistry » Magnesium » PDB 3i5y-3ig8 » 3i6b
Atomistry »
  Magnesium »
    PDB 3i5y-3ig8 »
      3i6b »

Magnesium in PDB 3i6b: Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate

Enzymatic activity of Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate

All present enzymatic activity of Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate:
3.1.3.45;

Protein crystallography data

The structure of Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate, PDB code: 3i6b was solved by T.Biswas, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.49
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 64.964, 144.104, 145.854, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 23.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate (pdb code 3i6b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate, PDB code: 3i6b:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3i6b

Go back to Magnesium Binding Sites List in 3i6b
Magnesium binding site 1 out of 4 in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate


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 Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:49.5
occ:1.00
O1 A:PO4800 2.3 75.7 1.0
O A:ASP34 2.4 25.4 1.0
O A:HOH699 2.6 34.1 1.0
OD2 A:ASP125 2.9 26.9 1.0
C A:ASP34 3.6 25.4 1.0
OD2 A:ASP32 3.8 30.4 1.0
P A:PO4800 3.8 75.3 1.0
CG A:ASP125 3.9 26.1 1.0
CG1 B:VAL56 4.1 23.8 1.0
CB A:ASP34 4.1 25.9 1.0
CB A:ASP125 4.2 23.6 1.0
CA A:ASP34 4.3 25.6 1.0
O2 A:PO4800 4.4 75.3 1.0
CB A:ASP126 4.6 22.4 1.0
N A:ASP34 4.6 25.3 1.0
CG A:ASP32 4.6 27.9 1.0
O4 A:PO4800 4.6 75.8 1.0
N A:GLY35 4.6 25.2 1.0
O3 A:PO4800 4.6 75.3 1.0
OD2 A:ASP129 4.8 23.2 1.0
CB A:ASP32 4.8 25.8 1.0
N A:ASP126 4.8 22.4 1.0
CA A:GLY35 4.8 25.1 1.0
O8 B:KDO900 4.9 77.3 1.0
CA A:ASP125 5.0 23.1 1.0

Magnesium binding site 2 out of 4 in 3i6b

Go back to Magnesium Binding Sites List in 3i6b
Magnesium binding site 2 out of 4 in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate


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 Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:55.6
occ:1.00
O1 B:PO4800 2.6 33.1 1.0
OD2 B:ASP32 2.7 28.6 1.0
O B:ASP34 2.7 23.1 1.0
OD2 B:ASP125 2.8 29.0 1.0
CG B:ASP32 3.3 25.9 1.0
O4 B:PO4800 3.4 31.3 1.0
P B:PO4800 3.5 33.4 1.0
CB B:ASP32 3.6 24.3 1.0
C B:ASP34 3.7 23.2 1.0
CG B:ASP125 3.9 26.2 1.0
O2 B:PO4800 3.9 30.4 1.0
N B:ASP34 4.0 23.5 1.0
CB B:ASP34 4.0 23.4 1.0
CA B:ASP34 4.1 23.3 1.0
OD1 B:ASP32 4.1 27.6 1.0
OD2 B:ASP129 4.1 26.0 1.0
O B:HOH701 4.2 34.9 1.0
OD1 B:ASP129 4.6 25.8 1.0
OD1 B:ASP125 4.6 28.8 1.0
CA B:ASP32 4.7 23.8 1.0
N B:VAL33 4.8 23.5 1.0
CG B:ASP129 4.8 25.0 1.0
O3 B:PO4800 4.8 31.1 1.0
C B:VAL33 4.9 23.6 1.0
CB B:ASP125 4.9 24.0 1.0
N B:ASP125 4.9 22.8 1.0
N B:GLY35 4.9 23.0 1.0

Magnesium binding site 3 out of 4 in 3i6b

Go back to Magnesium Binding Sites List in 3i6b
Magnesium binding site 3 out of 4 in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg204

b:32.5
occ:1.00
O3 C:PO4800 2.2 60.3 1.0
OD1 C:ASP125 2.2 32.3 1.0
O C:ASP34 2.5 24.9 1.0
CG C:ASP125 3.2 29.0 1.0
OD2 C:ASP32 3.2 27.5 1.0
OD2 C:ASP125 3.5 31.9 1.0
P C:PO4800 3.6 60.1 1.0
C C:ASP34 3.7 25.1 1.0
O2 C:PO4800 4.0 59.7 1.0
CG C:ASP32 4.0 25.8 1.0
O C:HOH549 4.0 28.2 1.0
CB C:ASP32 4.3 23.7 1.0
O4 C:PO4800 4.3 60.7 1.0
CG1 D:VAL56 4.4 24.8 1.0
CB C:ASP34 4.4 25.5 1.0
CA C:ASP34 4.4 25.2 1.0
CB C:ASP126 4.5 25.8 1.0
OD2 C:ASP129 4.5 27.5 1.0
CB C:ASP125 4.5 26.3 1.0
O1 C:PO4800 4.6 60.7 1.0
N C:GLY35 4.7 24.9 1.0
N C:ASP34 4.7 24.8 1.0
N C:ASP126 4.7 25.6 1.0
CA C:GLY35 4.8 24.7 1.0
N C:ASP125 4.9 25.0 1.0

Magnesium binding site 4 out of 4 in 3i6b

Go back to Magnesium Binding Sites List in 3i6b
Magnesium binding site 4 out of 4 in the Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Yrbi Lacking the Last 8 Residues, in Complex with Kdo and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg203

b:49.2
occ:1.00
O2 D:PO4800 2.2 33.1 1.0
OD2 D:ASP125 2.9 28.8 1.0
O D:ASP34 3.4 24.4 1.0
P D:PO4800 3.5 33.7 1.0
OD2 D:ASP32 3.5 28.6 1.0
OD2 D:ASP129 3.6 27.9 1.0
O1 D:PO4800 3.8 33.0 1.0
CD1 D:ILE128 3.8 30.6 1.0
CG D:ASP32 3.9 26.8 1.0
O D:HOH677 3.9 31.5 1.0
OD1 D:ASP129 4.0 28.5 1.0
CB D:ASP32 4.1 24.8 1.0
CG D:ASP125 4.2 27.1 1.0
CG D:ASP129 4.2 26.9 1.0
O4 D:PO4800 4.3 32.3 1.0
C D:ASP34 4.5 24.1 1.0
O3 D:PO4800 4.5 32.1 1.0
OD1 D:ASP32 4.6 29.8 1.0
CG1 D:ILE128 4.7 28.1 1.0
CB D:ASP34 4.7 24.1 1.0
CB D:ASP126 4.8 24.9 1.0
N D:ASP126 4.8 25.1 1.0
N D:ASP125 4.9 24.8 1.0
OD1 D:ASP125 4.9 29.1 1.0
CA D:ASP34 5.0 24.1 1.0

Reference:

T.Biswas, L.Yi, P.Aggarwal, J.Wu, J.R.Rubin, J.A.Stuckey, R.W.Woodard, O.V.Tsodikov. The Tail of Kdsc: Conformational Changes Control the Activity of A Haloacid Dehalogenase Superfamily Phosphatase. J.Biol.Chem. V. 284 30594 2009.
ISSN: ISSN 0021-9258
PubMed: 19726684
DOI: 10.1074/JBC.M109.012278
Page generated: Sun Aug 10 22:28:38 2025

Last articles

Mg in 6XLN
Mg in 6XLM
Mg in 6XLJ
Mg in 6XLH
Mg in 6XLL
Mg in 6XLG
Mg in 6XLF
Mg in 6XLE
Mg in 6XLD
Mg in 6XLC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy