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Chlorine in PDB 4bp0: Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1

Enzymatic activity of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1

All present enzymatic activity of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1, PDB code: 4bp0 was solved by M.A.Mcdonough, J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.9428 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.650, 83.550, 282.410, 90.00, 90.00, 90.00
R / Rfree (%) 15.16 / 19.81

Other elements in 4bp0:

The structure of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1 also contains other interesting chemical elements:

Zinc (Zn) 10 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1 (pdb code 4bp0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1, PDB code: 4bp0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4bp0

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Chlorine binding site 1 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


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 Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1317

b:59.1
occ:1.00
 NH2 A:ARG137 2.6 30.9 1.0
O1 A:GOL1315 2.8 94.5 1.0
O A:HOH2176 3.1 58.6 1.0
O A:HOH2091 3.1 35.4 1.0
C2 A:GOL1315 3.2 69.5 1.0
O2 A:GOL1315 3.3 46.3 1.0
O A:HOH2175 3.3 49.4 1.0
CZ A:ARG137 3.4 28.9 1.0
NH1 A:ARG137 3.5 33.6 1.0
O A:HOH2080 3.5 40.6 1.0
C1 A:GOL1315 3.5 81.7 1.0
O A:HOH2084 3.7 47.7 1.0
CD2 A:LEU111 3.8 26.7 1.0
CG A:LEU111 3.8 30.8 1.0
CD1 A:LEU111 3.9 28.4 1.0
CG A:GLU140 4.0 46.4 1.0
CG A:PRO166 4.4 31.4 1.0
C3 A:GOL1315 4.6 67.1 1.0
NE A:ARG137 4.6 34.4 1.0
O A:HOH2082 4.8 38.5 1.0
OD1 A:ASN141 4.9 32.4 1.0
O3 A:GOL1315 5.0 45.7 1.0
CB A:GLU140 5.0 35.1 1.0

Chlorine binding site 2 out of 7 in 4bp0

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Chlorine binding site 2 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


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 Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1318

b:51.7
occ:1.00
 ZN A:ZN1313 2.5 37.9 1.0
O A:HOH2056 3.1 27.4 1.0
NE2 A:HIS258 3.1 31.5 1.0
NZ A:LYS219 3.2 46.7 1.0
O A:HOH2132 3.2 57.6 1.0
CE1 A:HIS197 3.2 27.5 1.0
CD2 A:HIS258 3.3 25.5 1.0
O A:HOH2144 3.3 55.8 1.0
CB A:CYS216 3.5 22.5 1.0
NE2 A:HIS197 3.6 25.0 1.0
SG A:CYS216 3.6 32.6 1.0
ND1 A:HIS197 3.9 29.2 1.0
ZN A:ZN1312 4.0 28.0 1.0
CE A:LYS219 4.1 42.7 1.0
CE1 A:HIS258 4.2 31.4 1.0
O A:HOH2051 4.3 50.4 1.0
CG A:HIS258 4.4 25.8 1.0
CD2 A:HIS197 4.5 25.6 1.0
OD2 A:ASP112 4.5 28.6 1.0
CA A:CYS216 4.5 25.8 1.0
CG A:HIS197 4.7 31.1 1.0
O A:CYS216 4.7 30.9 1.0
ND1 A:HIS258 4.9 28.8 1.0

Chlorine binding site 3 out of 7 in 4bp0

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Chlorine binding site 3 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


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 Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1315

b:61.9
occ:1.00
 ZN B:ZN1312 2.5 49.3 1.0
NE2 B:HIS258 3.1 54.8 1.0
NZ B:LYS219 3.1 72.6 1.0
O B:HOH2028 3.1 36.5 1.0
CE1 B:HIS197 3.3 43.1 1.0
CD2 B:HIS258 3.3 51.7 1.0
SG B:CYS216 3.5 57.5 1.0
CB B:CYS216 3.6 59.9 1.0
NE2 B:HIS197 3.8 44.6 1.0
ND1 B:HIS197 3.9 48.3 1.0
CE B:LYS219 4.0 63.1 1.0
CE1 B:HIS258 4.0 44.5 1.0
ZN B:ZN1311 4.0 38.9 1.0
CG B:HIS258 4.4 53.1 1.0
OD2 B:ASP112 4.6 47.6 1.0
CA B:CYS216 4.6 54.8 1.0
ND1 B:HIS258 4.7 51.9 1.0
CD2 B:HIS197 4.7 44.3 1.0
O B:CYS216 4.7 51.6 1.0
CG B:HIS197 4.7 42.1 1.0

Chlorine binding site 4 out of 7 in 4bp0

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Chlorine binding site 4 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


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 Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1316

b:75.7
occ:1.00
 N B:LEU111 3.5 38.4 1.0
CA B:HIS110 3.6 45.0 1.0
CB B:HIS110 3.8 38.5 1.0
CG B:LEU111 3.9 36.3 1.0
CD2 B:HIS110 4.0 39.5 1.0
C B:HIS110 4.0 34.1 1.0
NH1 B:ARG137 4.1 38.5 1.0
CG B:HIS110 4.1 35.5 1.0
CD1 B:LEU111 4.4 37.1 1.0
CB B:LEU111 4.4 40.4 1.0
CA B:LEU111 4.5 42.7 1.0
N B:HIS110 4.8 43.7 1.0
CD2 B:LEU111 4.9 41.1 1.0
CG B:GLU140 4.9 45.1 1.0
O B:PHE109 5.0 40.1 1.0

Chlorine binding site 5 out of 7 in 4bp0

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Chlorine binding site 5 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


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 Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1314

b:64.5
occ:1.00
 ZN C:ZN1311 2.3 43.1 1.0
O C:HOH2029 2.8 36.0 1.0
NE2 C:HIS258 2.9 40.4 1.0
CD2 C:HIS258 3.2 40.9 1.0
NZ C:LYS219 3.4 55.1 1.0
CE1 C:HIS197 3.4 42.1 1.0
SG C:CYS216 3.5 45.3 1.0
CB C:CYS216 3.5 35.1 1.0
NE2 C:HIS197 3.7 38.7 1.0
ZN C:ZN1310 3.9 35.0 1.0
CE C:LYS219 3.9 50.4 1.0
CE1 C:HIS258 4.0 48.6 1.0
ND1 C:HIS197 4.2 48.4 1.0
OD2 C:ASP112 4.4 38.0 1.0
CG C:HIS258 4.4 41.2 1.0
O C:HOH2084 4.4 55.4 1.0
CD2 C:HIS197 4.6 37.0 1.0
CA C:CYS216 4.6 40.6 1.0
ND1 C:HIS258 4.7 43.7 1.0
O C:CYS216 4.8 40.3 1.0
CG C:HIS197 4.8 40.3 1.0

Chlorine binding site 6 out of 7 in 4bp0

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Chlorine binding site 6 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1315

b:68.4
occ:1.00
 N C:LEU111 3.7 29.0 1.0
CA C:HIS110 3.8 33.0 1.0
CG C:LEU111 3.9 36.3 1.0
CD2 C:HIS110 4.0 35.4 1.0
NH1 C:ARG137 4.0 40.2 1.0
CB C:HIS110 4.1 27.1 1.0
C C:HIS110 4.2 28.5 1.0
OE2 C:GLU140 4.3 69.0 1.0
CG C:HIS110 4.3 35.8 1.0
CG C:GLU140 4.4 42.3 1.0
CD1 C:LEU111 4.5 32.9 1.0
CB C:LEU111 4.6 25.8 1.0
CD C:GLU140 4.7 59.0 1.0
CA C:LEU111 4.7 30.1 1.0
CD2 C:LEU111 4.8 33.7 1.0
O C:PHE109 4.9 35.0 1.0
N C:HIS110 4.9 28.7 1.0
NH2 C:ARG137 4.9 39.4 1.0
CZ C:ARG137 5.0 45.6 1.0

Chlorine binding site 7 out of 7 in 4bp0

Go back to Chlorine Binding Sites List in 4bp0
Chlorine binding site 7 out of 7 in the Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Closed Form of Pseudomonas Aeruginosa Spm-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1315

b:56.4
occ:1.00
 ZN D:ZN1311 2.5 44.4 1.0
NE2 D:HIS258 2.9 50.5 1.0
NZ D:LYS219 2.9 61.8 1.0
CD2 D:HIS258 3.1 45.1 1.0
O D:HOH2027 3.1 33.8 1.0
CE1 D:HIS197 3.5 34.1 1.0
SG D:CYS216 3.7 44.5 1.0
CB D:CYS216 3.7 37.6 1.0
CE D:LYS219 3.7 54.4 1.0
NE2 D:HIS197 3.8 34.1 1.0
CE1 D:HIS258 4.1 41.4 1.0
O D:HOH2079 4.2 46.2 1.0
ND1 D:HIS197 4.2 35.4 1.0
ZN D:ZN1310 4.2 35.0 1.0
CG D:HIS258 4.3 42.0 1.0
OD2 D:ASP112 4.5 37.3 1.0
O D:CYS216 4.6 33.5 1.0
CA D:CYS216 4.6 30.8 1.0
CD2 D:HIS197 4.6 34.0 1.0
ND1 D:HIS258 4.8 39.3 1.0
CG D:HIS197 4.9 37.1 1.0

Reference:

M.A.Mcdonough, J.Brem, C.J.Schofield. The Crystal Structure of the Closed Form or Pseudomonas Aeruginosa Spm-1 To Be Published.
Page generated: Sun Jul 21 10:22:44 2024

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