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Chlorine in PDB 3k4v: New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline

Enzymatic activity of New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline

All present enzymatic activity of New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline:
3.4.23.16;

Protein crystallography data

The structure of New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline, PDB code: 3k4v was solved by F.M.Olajuyigbe, N.Demitri, J.O.Ajele, E.Maurizio, L.Randaccio, S.Geremia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.205, 62.673, 59.076, 90.00, 98.42, 90.00
R / Rfree (%) 15.9 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline (pdb code 3k4v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline, PDB code: 3k4v:

Chlorine binding site 1 out of 1 in 3k4v

Go back to Chlorine Binding Sites List in 3k4v
Chlorine binding site 1 out of 1 in the New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of New Crystal Form of Hiv-1 Protease/Saquinavir Structure Reveals Carbamylation of N-Terminal Proline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:53.0
occ:1.00
 N B:SER37 3.2 25.2 1.0
CA B:MET36 3.7 23.9 1.0
OG B:SER37 3.7 33.7 1.0
C B:MET36 4.0 23.9 1.0
CB B:MET36 4.1 26.0 1.0
CB B:SER37 4.2 31.6 1.0
CA B:SER37 4.2 28.9 1.0
O B:SER37 4.7 43.2 1.0
N B:MET36 4.9 21.6 1.0
O B:GLU35 5.0 26.2 1.0

Reference:

F.M.Olajuyigbe, N.Demitri, J.O.Ajele, E.Maurizio, L.Randaccio, S.Geremia. Carbamylation of N-Terminal Proline. Acs Med Chem Lett V. 1 254 2010.
ISSN: ISSN 1948-5875
PubMed: 24900204
DOI: 10.1021/ML100046D
Page generated: Sat Dec 12 09:50:20 2020

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