Atomistry » Iodine » PDB 1lkr-1pvh » 1nx3
Atomistry »
  Iodine »
    PDB 1lkr-1pvh »
      1nx3 »

Iodine in PDB 1nx3: Calpain Domain VI in Complex with the Inhibitor PD150606

Protein crystallography data

The structure of Calpain Domain VI in Complex with the Inhibitor PD150606, PDB code: 1nx3 was solved by B.Todd, D.Moore, C.C.S.Deivanayagam, G.-D.Lin, D.Chattopadhyay, M.Maki, K.K.W.Wang, S.V.L.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 2.45
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.578, 78.578, 77.891, 90.00, 90.00, 120.00
R / Rfree (%) 21 / 25.3

Other elements in 1nx3:

The structure of Calpain Domain VI in Complex with the Inhibitor PD150606 also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Calpain Domain VI in Complex with the Inhibitor PD150606 (pdb code 1nx3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Calpain Domain VI in Complex with the Inhibitor PD150606, PDB code: 1nx3:

Iodine binding site 1 out of 1 in 1nx3

Go back to Iodine Binding Sites List in 1nx3
Iodine binding site 1 out of 1 in the Calpain Domain VI in Complex with the Inhibitor PD150606


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Calpain Domain VI in Complex with the Inhibitor PD150606 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I267

b:57.2
occ:1.00
I A:ISA267 0.0 57.2 1.0
CZ A:ISA267 2.0 56.5 1.0
CE2 A:ISA267 2.9 55.7 1.0
CE1 A:ISA267 3.0 58.7 1.0
O A:LEU122 3.8 37.9 1.0
CE2 A:PHE224 3.9 39.5 1.0
CD2 A:LEU122 4.0 35.0 1.0
N A:VAL126 4.1 49.7 1.0
CG1 A:VAL125 4.2 45.6 1.0
CB A:VAL126 4.2 49.1 1.0
CD1 A:ISA267 4.3 59.9 1.0
CD2 A:ISA267 4.3 59.9 1.0
CG2 A:ILE169 4.3 37.9 1.0
CB A:VAL125 4.3 48.6 1.0
CA A:VAL126 4.3 50.9 1.0
CE1 A:PHE137 4.4 26.5 1.0
CG2 A:VAL126 4.5 48.2 1.0
CA A:LEU122 4.5 38.7 1.0
C A:LEU122 4.6 38.7 1.0
CZ A:PHE137 4.6 28.6 1.0
CZ A:PHE224 4.7 40.3 1.0
C A:VAL125 4.8 49.0 1.0
CB A:LEU122 4.8 35.7 1.0
CG A:ISA267 4.8 61.2 1.0
CD2 A:PHE224 4.9 38.2 1.0

Reference:

B.Todd, D.Moore, C.C.S.Deivanayagam, G.-D.Lin, D.Chattopadhyay, M.Maki, K.K.W.Wang, S.V.L.Narayana. A Structural Model For the Inhibition of Calpain By Calpastatin: Crystal Structures of the Native Domain VI of Calpain and Its Complexes with Calpastatin Peptide and A Small Molecule Inhibitor. J.Mol.Biol. V. 328 131 2003.
ISSN: ISSN 0022-2836
PubMed: 12684003
DOI: 10.1016/S0022-2836(03)00274-2
Page generated: Sun Aug 11 12:32:30 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy