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Chlorine in PDB 5hkg: Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).

Enzymatic activity of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).

All present enzymatic activity of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).:
5.2.1.8;

Protein crystallography data

The structure of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6)., PDB code: 5hkg was solved by S.Sirigu, T.Huet, M.Bacchi, M.Jullian, B.Fould, G.Ferry, L.Vuillard, L.Chavas, K.Puget, O.Nosjean, J.A.Boutin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.200, 48.610, 53.360, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 19.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6). (pdb code 5hkg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6)., PDB code: 5hkg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5hkg

Go back to Chlorine Binding Sites List in 5hkg
Chlorine binding site 1 out of 3 in the Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:38.9
occ:1.00
NE2 A:HIS25 3.2 20.2 1.0
C A:ASN43 3.6 36.0 1.0
O A:HOH415 3.6 53.4 1.0
CA A:ASN43 3.7 29.4 1.0
O A:ASN43 3.8 37.7 1.0
CE1 A:HIS25 3.9 18.2 1.0
N A:LYS44 4.1 32.4 1.0
CB A:ASN43 4.2 30.2 1.0
CD A:PRO45 4.4 26.5 1.0
CD2 A:HIS25 4.4 19.8 1.0
CG A:PRO45 4.6 30.0 1.0
CA A:LYS44 4.8 31.8 1.0
OD1 A:ASN43 4.8 36.7 1.0
N A:PRO45 4.9 23.3 1.0
O A:HOH405 4.9 33.6 1.0
N A:ASN43 4.9 29.6 1.0

Chlorine binding site 2 out of 3 in 5hkg

Go back to Chlorine Binding Sites List in 5hkg
Chlorine binding site 2 out of 3 in the Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:41.9
occ:1.00
N A:LYS35 3.2 18.3 1.0
CB A:LYS35 3.8 19.8 1.0
CA A:LYS34 3.9 22.2 1.0
CE A:LYS35 4.0 49.0 1.0
O A:GLY33 4.0 31.0 1.0
CA A:LYS35 4.0 16.8 1.0
CG A:LYS35 4.0 30.0 1.0
C A:LYS34 4.1 19.2 1.0
O A:LYS35 4.3 22.6 1.0
CG A:LYS34 4.4 45.3 1.0
NZ A:LYS35 4.5 50.1 1.0
CD A:LYS35 4.5 40.2 1.0
C A:LYS35 4.7 20.1 1.0
CB A:LYS34 4.8 27.9 1.0
C A:GLY33 4.8 29.3 1.0
N A:LYS34 4.9 22.8 1.0

Chlorine binding site 3 out of 3 in 5hkg

Go back to Chlorine Binding Sites List in 5hkg
Chlorine binding site 3 out of 3 in the Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Total Chemical Synthesis, Refolding and Crystallographic Structure of A Fully Active Immunophilin: Calstabin 2 (FKBP12.6). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:56.5
occ:1.00
O A:HOH442 3.0 48.4 1.0
O A:HOH315 3.5 40.4 1.0
CB A:LEU104 4.0 15.7 1.0
CB A:ASN105 4.1 19.9 1.0
CG1 A:VAL23 4.1 18.4 1.0
CD1 A:LEU104 4.4 20.5 1.0
O A:LEU104 4.7 20.0 1.0
C A:LEU104 4.7 19.5 1.0
CG A:ASN105 4.8 35.3 1.0
ND2 A:ASN105 4.8 31.3 1.0
CG A:LEU104 4.8 18.8 1.0
CG A:PRO45 4.9 30.0 1.0
CB A:VAL23 4.9 16.4 1.0
N A:ASN105 5.0 16.6 1.0

Reference:

M.Bacchi, M.Jullian, S.Sirigu, B.Fould, T.Huet, L.Bruyand, M.Antoine, L.Vuillard, L.Ronga, L.M.Chavas, O.Nosjean, G.Ferry, K.Puget, J.A.Boutin. Total Chemical Synthesis, Refolding, and Crystallographic Structure of Fully Active Immunophilin Calstabin 2 (FKBP12.6). Protein Sci. V. 25 2225 2016.
ISSN: ESSN 1469-896X
PubMed: 27670942
DOI: 10.1002/PRO.3051
Page generated: Sat Dec 12 11:48:45 2020

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