Chlorine in PDB 8uc5: Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I)

Enzymatic activity of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I)

All present enzymatic activity of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I):
5.2.1.8;

Protein crystallography data

The structure of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I), PDB code: 8uc5 was solved by D.F.Kreitler, A.M.Rangwala, M.A.Seeliger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 1.43
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.667, 56.643, 101.172, 90, 123.72, 90
R / Rfree (%) 14.4 / 17.5

Other elements in 8uc5:

The structure of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) (pdb code 8uc5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I), PDB code: 8uc5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8uc5

Go back to Chlorine Binding Sites List in 8uc5
Chlorine binding site 1 out of 3 in the Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cl208

b:35.8
occ:1.00
 O X:ASN102 3.1 17.1 1.0
N X:ASN102 3.1 12.3 1.0
CE1 X:HIS126 3.4 12.3 1.0
CB X:ALA101 3.6 12.7 1.0
CA X:ALA101 3.7 11.0 1.0
C2 X:DMS201 3.7 21.4 1.0
C1 X:DMS201 3.8 22.7 1.0
C X:ALA101 3.9 12.7 1.0
C X:ASN102 4.0 13.1 1.0
CA X:ASN102 4.1 11.6 1.0
ND1 X:HIS126 4.3 11.8 1.0
NE2 X:HIS126 4.3 13.9 1.0
C2 X:DMS203 4.4 51.4 1.0
O B:HOH324 4.4 26.9 1.0
S X:DMS201 4.4 22.3 1.0
O X:DMS201 4.5 23.7 1.0
OD1 X:ASN102 4.6 14.9 1.0
NE2 X:GLN63 4.9 14.1 1.0
CG X:ASN102 4.9 13.2 1.0

Chlorine binding site 2 out of 3 in 8uc5

Go back to Chlorine Binding Sites List in 8uc5
Chlorine binding site 2 out of 3 in the Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cl209

b:29.2
occ:1.00
 O X:HOH421 2.8 38.3 1.0
CD X:ARG151 3.3 12.8 0.5
NZ B:LYS125 3.3 26.9 1.0
NH1 X:ARG151 3.3 18.1 0.5
CG X:ARG151 3.6 12.6 0.5
CD B:LYS125 3.8 19.0 1.0
NE X:ARG151 3.8 13.0 0.5
O X:HOH380 3.9 31.6 1.0
CD X:ARG151 3.9 17.2 0.5
CA B:GLY104 3.9 15.9 1.0
CE B:LYS125 3.9 23.9 1.0
CB X:ARG151 3.9 13.1 0.5
CB X:ARG151 3.9 15.1 0.5
CG X:ARG151 4.0 16.2 0.5
CG B:LYS125 4.1 17.3 1.0
CD B:PRO105 4.3 19.4 1.0
CZ X:ARG151 4.4 17.9 0.5
C2 X:DMS204 4.5 46.2 1.0
C B:GLY104 4.6 16.6 1.0
NE X:ARG151 4.6 17.1 0.5
N B:PRO105 4.7 17.4 1.0
N B:GLY104 4.7 17.3 1.0
CA X:ARG151 4.8 14.0 0.5
CA X:ARG151 4.8 13.4 0.5
CG B:PRO105 4.8 20.9 1.0

Chlorine binding site 3 out of 3 in 8uc5

Go back to Chlorine Binding Sites List in 8uc5
Chlorine binding site 3 out of 3 in the Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:27.5
occ:1.00
 O X:HOH425 3.0 33.5 1.0
O X:HOH340 3.2 20.1 1.0
CE A:LYS125 3.5 21.7 1.0
CA A:GLY104 4.0 18.8 1.0
CD A:LYS125 4.0 17.4 1.0
CG A:LYS125 4.0 15.1 1.0
CD A:PRO105 4.0 18.5 1.0
NZ A:LYS125 4.2 26.4 1.0
N A:PRO105 4.6 16.8 1.0
C A:GLY104 4.6 16.2 1.0
CG A:PRO105 4.7 19.8 1.0
N A:GLY104 4.9 17.3 1.0

Reference:

D.F.Kreitler, M.A.Seeliger, A.M.Rangwala. Apo X-Ray Crystal Structure of Cyclophilin D with A Surface Entropy Reduction Mutation (K175I) To Be Published.
Page generated: Sat Sep 28 19:34:12 2024

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