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

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy