Chlorine in PDB 8orl: Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56

Enzymatic activity of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56

All present enzymatic activity of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56, PDB code: 8orl was solved by M.Rees, M.Gautel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.39 / 1.43
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 70.348, 89.862, 98.309, 90, 90, 90
R / Rfree (%) 15.9 / 19.4

Other elements in 8orl:

The structure of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 also contains other interesting chemical elements:

Zinc (Zn) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 (pdb code 8orl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56, PDB code: 8orl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8orl

Go back to Chlorine Binding Sites List in 8orl
Chlorine binding site 1 out of 5 in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:23.0
occ:0.81
 H A:ARG28 2.2 19.8 1.0
O B:HOH402 2.8 22.3 1.0
HB3 A:LYS27 2.8 19.2 1.0
HD12 B:LEU63 2.9 24.4 1.0
O B:HOH417 3.0 11.2 1.0
N A:ARG28 3.1 16.5 1.0
HB3 A:ARG28 3.2 18.4 1.0
HA A:LYS27 3.2 18.8 1.0
HD2 A:LYS27 3.3 19.8 1.0
HD2 B:LYS27 3.4 20.2 1.0
HB2 A:ARG28 3.5 18.4 1.0
HD11 A:LEU63 3.5 21.4 1.0
HD11 B:LEU63 3.5 24.4 1.0
CD1 B:LEU63 3.5 20.3 1.0
HD13 A:LEU63 3.6 21.4 1.0
HZ2 B:LYS27 3.6 24.1 1.0
CB A:LYS27 3.6 16.0 1.0
CB A:ARG28 3.7 15.3 1.0
HD13 B:LEU63 3.7 24.4 1.0
CA A:LYS27 3.7 15.7 1.0
HD3 B:LYS27 3.8 20.2 1.0
C A:LYS27 3.9 15.5 1.0
CD1 A:LEU63 3.9 17.8 1.0
CA A:ARG28 4.0 15.1 1.0
HD3 A:LYS27 4.0 19.8 1.0
O A:HOH332 4.0 35.8 1.0
CD A:LYS27 4.0 16.5 1.0
CD B:LYS27 4.0 16.8 1.0
O A:HOH389 4.2 34.5 1.0
HD12 A:LEU63 4.3 21.4 1.0
NZ B:LYS27 4.3 20.1 1.0
HZ3 B:LYS27 4.3 24.1 1.0
HA B:LYS27 4.3 13.4 1.0
HB2 A:LYS27 4.4 19.2 1.0
CG A:LYS27 4.4 16.2 1.0
O A:HOH367 4.4 23.8 1.0
O A:ARG28 4.4 15.9 1.0
O B:HOH437 4.7 41.3 1.0
O A:HOH388 4.7 27.2 1.0
H B:ARG28 4.7 14.0 1.0
HA A:ARG28 4.7 18.1 1.0
CE B:LYS27 4.7 18.0 1.0
C A:ARG28 4.7 13.7 1.0
HG3 A:LYS27 4.8 19.5 1.0
HB3 B:LYS27 4.9 16.7 1.0
CG B:LEU63 4.9 19.0 1.0
HD21 A:LEU63 4.9 19.5 1.0
HD22 A:LEU63 5.0 19.5 1.0
HE3 B:LYS27 5.0 21.6 1.0

Chlorine binding site 2 out of 5 in 8orl

Go back to Chlorine Binding Sites List in 8orl
Chlorine binding site 2 out of 5 in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:24.1
occ:0.83
 ZN B:ZN203 2.2 22.8 0.7
O B:HOH373 2.9 50.2 1.0
HA B:HIS41 2.9 13.2 1.0
H B:VAL42 3.0 13.8 1.0
HB3 B:HIS41 3.1 16.2 1.0
HG13 B:ILE56 3.1 23.2 1.0
HD11 B:ILE56 3.3 25.5 1.0
HG12 B:ILE56 3.4 23.2 1.0
HD2 B:ARG54 3.4 37.1 1.0
ND1 B:HIS41 3.5 21.8 1.0
CA B:HIS41 3.6 11.0 1.0
CG1 B:ILE56 3.6 19.4 1.0
O B:HOH440 3.6 27.8 1.0
CB B:HIS41 3.6 13.5 1.0
N B:VAL42 3.7 11.5 1.0
O B:HOH423 3.8 22.3 1.0
HA B:PRO59 3.8 27.2 1.0
CD1 B:ILE56 3.9 21.2 1.0
CG B:HIS41 3.9 18.3 1.0
HG2 B:ARG54 4.0 35.7 1.0
HD3 B:PRO59 4.0 31.4 1.0
C B:HIS41 4.1 10.8 1.0
O B:VAL42 4.2 13.6 1.0
CD B:ARG54 4.2 31.0 1.0
O B:ILE56 4.2 22.3 1.0
N B:PRO59 4.3 24.0 1.0
HB3 B:ARG54 4.3 30.8 1.0
HD3 B:ARG54 4.4 37.1 1.0
HB3 B:PRO59 4.4 28.3 1.0
H B:ILE56 4.4 19.1 1.0
HD12 B:ILE56 4.4 25.5 1.0
CA B:PRO59 4.5 22.7 1.0
CG B:ARG54 4.5 29.8 1.0
HB2 B:HIS41 4.5 16.2 1.0
C B:THR58 4.6 24.5 1.0
CE1 B:HIS41 4.6 22.1 1.0
CD B:PRO59 4.6 26.2 1.0
HD13 B:ILE56 4.6 25.5 1.0
HA B:THR58 4.7 31.1 0.5
O B:TYR40 4.7 11.3 1.0
HA B:THR58 4.8 31.3 0.5
N B:HIS41 4.8 10.4 1.0
C B:VAL42 4.9 12.2 1.0
CA B:VAL42 4.9 12.9 1.0
HE1 B:HIS41 4.9 26.6 1.0
O B:THR58 4.9 22.6 1.0
CB B:PRO59 4.9 23.6 1.0
CB B:ARG54 4.9 25.7 1.0
C B:ILE56 4.9 19.4 1.0
H B:ALA55 5.0 18.7 1.0
HG3 B:PRO59 5.0 30.9 1.0

Chlorine binding site 3 out of 5 in 8orl

Go back to Chlorine Binding Sites List in 8orl
Chlorine binding site 3 out of 5 in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:18.6
occ:0.99
 ZN A:ZN201 2.2 13.9 1.0
HB A:ILE88 2.8 19.1 1.0
HD3 C:ARG64 2.8 21.9 1.0
O C:HOH413 3.2 30.8 1.0
O C:HOH400 3.3 29.8 1.0
OE1 A:GLU83 3.4 15.8 1.0
OD1 C:ASP62 3.5 13.9 1.0
OD2 C:ASP62 3.5 15.4 1.0
HD12 A:ILE88 3.5 21.7 1.0
NE2 A:HIS41 3.6 13.5 1.0
HG2 C:ARG64 3.6 22.0 1.0
CD C:ARG64 3.7 18.3 1.0
OE2 A:GLU83 3.7 15.3 1.0
CB A:ILE88 3.8 15.9 1.0
CD A:GLU83 3.8 15.1 1.0
CG C:ASP62 3.8 14.5 1.0
HD2 C:ARG64 3.9 21.9 1.0
O A:HOH395 4.0 32.9 1.0
HG21 A:ILE88 4.0 20.1 1.0
HE1 A:HIS41 4.1 19.0 1.0
CG C:ARG64 4.1 18.4 1.0
H A:ILE88 4.1 18.6 1.0
CE1 A:HIS41 4.1 15.8 1.0
HB3 A:GLU83 4.2 18.0 1.0
O C:HOH403 4.3 41.9 1.0
CG2 A:ILE88 4.3 16.8 1.0
CD1 A:ILE88 4.3 18.1 1.0
HG3 C:ARG64 4.3 22.0 1.0
HB2 A:GLU83 4.4 18.0 1.0
N A:ILE88 4.4 15.5 1.0
HG22 A:ILE88 4.4 20.1 1.0
CG1 A:ILE88 4.5 16.9 1.0
CD2 A:HIS41 4.6 12.3 1.0
HD13 A:ILE88 4.6 21.7 1.0
CA A:ILE88 4.6 14.9 1.0
HG13 A:ILE88 4.6 20.3 1.0
HA2 A:GLY87 4.6 21.6 1.0
CB A:GLU83 4.7 15.0 1.0
HA A:ILE88 4.8 17.9 1.0
HD2 A:HIS41 4.8 14.8 1.0
NE C:ARG64 4.8 20.7 1.0
CG A:GLU83 4.9 16.0 1.0
HE C:ARG64 5.0 24.9 1.0
H C:LEU63 5.0 16.1 1.0

Chlorine binding site 4 out of 5 in 8orl

Go back to Chlorine Binding Sites List in 8orl
Chlorine binding site 4 out of 5 in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:33.6
occ:0.83
 ZN B:ZN202 2.1 19.7 0.8
OE1 B:GLU36 3.3 22.5 1.0
HA2 C:GLY34 3.3 20.0 1.0
OD2 C:ASP32 3.4 18.0 1.0
C C:GLY34 3.5 17.3 1.0
CL C:CL204 3.5 40.1 0.7
HA C:SER35 3.6 18.5 1.0
OD1 C:ASP32 3.7 17.3 1.0
O C:GLY34 3.7 19.2 1.0
N C:SER35 3.7 15.6 1.0
O C:HOH406 3.9 41.8 1.0
CA C:GLY34 3.9 16.7 1.0
CG C:ASP32 3.9 17.1 1.0
O B:HOH395 3.9 26.8 1.0
CA C:SER35 4.1 15.4 1.0
H C:SER35 4.1 18.7 1.0
HD2 B:ARG85 4.3 32.3 1.0
H C:GLY34 4.3 19.6 1.0
C C:SER35 4.3 13.6 1.0
CD B:GLU36 4.4 21.1 1.0
O C:SER35 4.5 15.0 1.0
O C:HOH409 4.5 31.1 1.0
HD3 B:ARG85 4.6 32.3 1.0
N C:GLY34 4.6 16.4 1.0
HA3 C:GLY34 4.7 20.0 1.0
O C:HOH377 4.7 48.8 1.0
CD B:ARG85 4.8 26.9 1.0
HH22 C:ARG28 4.8 28.2 1.0
O B:HOH428 4.8 41.5 1.0
N C:GLU36 4.9 12.8 1.0

Chlorine binding site 5 out of 5 in 8orl

Go back to Chlorine Binding Sites List in 8orl
Chlorine binding site 5 out of 5 in the Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the S23226G Missense Variant of Titin Domain FN3- 56 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:40.1
occ:0.65
 ZN B:ZN202 2.1 19.7 0.8
O C:HOH409 2.5 31.1 1.0
O A:HOH444 2.6 36.6 1.0
HH22 C:ARG28 2.8 28.2 1.0
OE1 B:GLU36 2.9 22.5 1.0
O B:HOH433 2.9 26.4 1.0
OD2 C:ASP32 3.1 18.0 1.0
NH2 C:ARG28 3.3 23.5 1.0
CL C:CL203 3.5 33.6 0.8
CD B:GLU36 3.6 21.1 1.0
HH21 C:ARG28 3.6 28.2 1.0
HH12 C:ARG28 3.8 24.6 1.0
OE2 B:GLU36 3.8 21.5 1.0
O C:HOH406 3.9 41.8 1.0
CZ C:ARG28 4.0 21.2 1.0
O A:HOH375 4.1 23.6 1.0
NH1 C:ARG28 4.2 20.5 1.0
HB3 B:GLU36 4.2 19.0 1.0
CG C:ASP32 4.3 17.1 1.0
HG12 A:VAL60 4.4 13.9 1.0
HA C:GLU36 4.4 13.0 1.0
O C:HOH410 4.5 18.6 1.0
O C:HOH311 4.8 20.6 1.0
CG B:GLU36 4.8 18.0 1.0
CB B:GLU36 4.8 15.8 1.0
HB2 B:GLU36 4.8 19.0 1.0
HG11 A:VAL60 4.9 13.9 1.0
HH11 C:ARG28 4.9 24.6 1.0
O B:HOH395 4.9 26.8 1.0
O B:HOH428 5.0 41.5 1.0
OD1 C:ASP32 5.0 17.3 1.0

Reference:

M.Rees, R.Nikoopour, A.Alexandrovich, M.Pfuhl, L.R.Lopes, M.M.Akhtar, P.Syrris, P.Elliott, G.Carr-White, M.Gautel. Structure Determination and Analysis of Titin A-Band Fibronectin Type III Domains Provides Insights For Disease-Linked Variants and Protein Oligomerisation. J.Struct.Biol. 08009 2023.
ISSN: ESSN 1095-8657
PubMed: 37549721
DOI: 10.1016/J.JSB.2023.108009
Page generated: Tue Jul 30 11:16:10 2024

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