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Chlorine in the structure of Aldose Reductase Mutant Leu 300 Pro Complexed With Fidarestat (pdb 2agt)

The binding sites of Chlorine atom in the structure of Aldose Reductase Mutant Leu 300 Pro Complexed With Fidarestat (pdb code 2agt). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom.
The 2agt structure was solved by T.PETROVA, H.STEUBER, I.HAZEMANN, A.COUSIDO-SIAH, A.MITSCHLER, R.CHUNG, M.OKA, G.KLEBE, O.EL-KABBANI, A.JOACHIMIAK, A.PODJARNY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-1.0
Space groupP1211
a (A)49.118
b (A)66.724
c (A)47.092
alpha (°)90.00
beta (°)92.79
gamma (°)90.00
Rfactor (%)10.5
Rfree (%)12.9

Chlorine Binding Sites:

Chlorine binding site 1 out of 1 in 2agt

Chlorine binding site 1 out of 1 in 2agt
Click to enlarge
stereopicture of Chlorine binding site 1 out of 1 in 2agt
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 2agt. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ala45, A: His46, A: Val47, A: Lys77, A: Leu78, A: Trp79, A: His110, A: Hoh3999, A: Hoh4055, A: Hoh5050,

conact list:

AtomAtomDistance (A)
ClO A:Ala454.99
ClC A:Ala454.06
ClCB A:Ala453.57
ClCA A:Ala454.13
ClN A:His463.39
ClCB A:His463.97
ClC A:His464.15
ClCA A:His464.01
ClN A:Val473.33
ClN A:Val473.34
ClCB A:Val473.82
ClCB A:Val473.83
ClCG1 A:Val473.84
ClCG1 A:Val473.89
ClCA A:Val474.21
ClCA A:Val474.22
ClO A:Lys773.33
ClN A:Lys774.97
ClCB A:Lys774.01
ClC A:Lys773.81
ClCA A:Lys774.48
ClO A:Leu784.53
ClN A:Leu784.37
ClC A:Leu784.03
ClCA A:Leu784.61
ClN A:Trp793.60
ClCB A:Trp793.48
ClCD2 A:Trp794.33
ClCE3 A:Trp793.78
ClCG A:Trp794.28
ClCZ3 A:Trp794.82
ClCA A:Trp793.73
ClCB A:His1104.47
ClND1 A:His1103.13
ClCE1 A:His1103.92
ClCG A:His1104.23
ClO A:Hoh39990.02
ClO A:Hoh40554.02
ClO A:Hoh50504.98

interactive model:

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