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Chlorine in PDB 4pnv: E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions

Enzymatic activity of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions

All present enzymatic activity of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions:
2.7.7.7;

Protein crystallography data

The structure of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions, PDB code: 4pnv was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.55 / 1.86
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.138, 70.257, 84.469, 90.00, 114.67, 90.00
R / Rfree (%) 18.3 / 23.4

Other elements in 4pnv:

The structure of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions (pdb code 4pnv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions, PDB code: 4pnv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4pnv

Go back to Chlorine Binding Sites List in 4pnv
Chlorine binding site 1 out of 4 in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:22.1
occ:1.00
 O A:HOH579 3.0 28.6 1.0
O A:HOH891 3.0 22.4 1.0
N A:GLU6 3.2 15.6 1.0
NE2 A:GLN61 3.4 20.9 1.0
ND1 A:HIS9 3.6 25.9 1.0
CG A:GLU6 3.7 17.3 1.0
CA A:VAL5 3.8 15.2 1.0
CG1 A:VAL5 3.9 15.8 1.0
CB A:GLU6 3.9 16.6 1.0
C A:VAL5 4.0 15.4 1.0
CG2 A:VAL60 4.1 20.2 1.0
CD A:GLU6 4.1 18.3 1.0
CA A:GLU6 4.2 15.8 1.0
O A:HOH504 4.2 15.2 1.0
CE1 A:HIS9 4.3 26.4 1.0
CG A:GLN61 4.3 20.7 1.0
CB A:VAL5 4.4 15.5 1.0
CD A:GLN61 4.4 20.8 1.0
OE2 A:GLU6 4.4 19.1 1.0
O A:THR4 4.5 15.3 1.0
CG A:HIS9 4.6 24.8 1.0
OE1 A:GLU6 4.6 19.6 1.0
CG2 A:VAL5 4.8 15.9 1.0
CB A:HIS9 4.8 23.6 1.0
O A:HOH689 4.8 21.9 1.0
O A:HOH775 4.9 23.2 1.0
N A:VAL5 4.9 15.2 1.0

Chlorine binding site 2 out of 4 in 4pnv

Go back to Chlorine Binding Sites List in 4pnv
Chlorine binding site 2 out of 4 in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:41.1
occ:1.00
 O A:HOH561 2.7 13.2 1.0
O B:HOH517 2.8 15.3 1.0
O A:HOH781 2.9 36.1 1.0
NH1 B:ARG269 2.9 11.6 1.0
NH2 B:ARG269 3.5 11.6 1.0
CB B:GLN265 3.6 15.5 1.0
CZ B:ARG269 3.7 11.7 1.0
O A:HOH881 3.7 35.8 1.0
CD A:PRO83 4.0 13.4 1.0
CB A:PRO83 4.1 13.6 1.0
O B:HOH613 4.1 13.9 1.0
CG A:PRO83 4.1 13.7 1.0
CD2 B:LEU262 4.2 20.4 1.0
O A:HOH730 4.2 26.9 1.0
CG B:GLN265 4.3 17.6 1.0
O A:HOH859 4.3 38.0 1.0
N A:PRO83 4.5 13.2 1.0
O A:HOH650 4.5 24.8 1.0
CA A:PRO83 4.7 13.9 1.0
O A:GLY81 4.9 11.9 1.0
O A:HOH565 4.9 19.7 1.0
CA B:GLN265 4.9 13.9 1.0
NE B:ARG269 5.0 11.3 1.0
C B:GLN265 5.0 12.3 1.0
O B:LEU262 5.0 14.0 1.0

Chlorine binding site 3 out of 4 in 4pnv

Go back to Chlorine Binding Sites List in 4pnv
Chlorine binding site 3 out of 4 in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:61.7
occ:1.00
 O B:GLU287 2.7 20.1 1.0
O B:HOH786 2.9 45.4 1.0
OG B:SER286 2.9 17.8 1.0
O B:HOH595 3.0 32.4 1.0
N B:GLU287 3.4 19.4 1.0
CB B:SER286 3.6 17.9 1.0
C B:GLU287 3.6 20.1 1.0
CB B:GLN289 3.7 20.3 1.0
C B:SER286 3.8 18.7 1.0
CA B:GLU287 3.8 20.9 1.0
CB B:GLU287 4.1 22.9 1.0
CA B:SER286 4.3 17.9 1.0
O B:SER286 4.3 17.7 1.0
CD B:GLN289 4.5 23.6 1.0
N B:GLN289 4.6 18.5 1.0
OE1 B:GLN289 4.6 26.1 1.0
CG B:GLN289 4.7 22.1 1.0
CA B:GLN289 4.8 18.8 1.0
N B:ASN288 4.8 20.0 1.0
NE2 B:GLN289 4.9 24.2 1.0

Chlorine binding site 4 out of 4 in 4pnv

Go back to Chlorine Binding Sites List in 4pnv
Chlorine binding site 4 out of 4 in the E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of E. Coli Sliding Clamp Apo-Crystal in P21 Space Group with Larger Cell Dimensions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:48.5
occ:1.00
 O B:HOH958 2.6 36.5 1.0
O B:HOH706 2.9 24.1 1.0
O B:GLN16 3.2 23.5 1.0
NH2 B:ARG205 3.5 27.3 1.0
CZ B:ARG205 3.5 27.3 1.0
CZ B:PHE230 3.6 21.1 1.0
CE2 B:PHE230 3.6 22.1 1.0
CA B:GLN16 3.6 24.3 1.0
NH1 B:ARG205 3.6 28.9 1.0
CA B:MET206 3.8 22.5 1.0
C B:GLN16 3.8 23.8 1.0
CB B:GLN16 3.9 26.0 1.0
CB B:MET206 3.9 22.6 1.0
N B:MET206 4.0 22.1 1.0
CG B:GLN16 4.1 26.3 1.0
O B:ARG205 4.1 22.4 1.0
C B:ARG205 4.2 22.2 1.0
NE B:ARG205 4.2 26.1 1.0
CE1 B:PHE230 4.3 21.4 1.0
CD2 B:PHE230 4.3 21.4 1.0
OE1 B:GLU202 4.4 18.8 1.0
CG B:ARG205 4.4 24.7 1.0
CB B:ARG205 4.6 23.4 1.0
O B:HOH824 4.7 35.5 1.0
CD1 B:PHE230 4.9 21.0 1.0
N B:GLN16 4.9 24.7 1.0
CG B:PHE230 4.9 21.1 1.0
CD B:ARG205 4.9 25.4 1.0
O B:GLU202 4.9 14.8 1.0

Reference:

Z.Yin, A.J.Oakley. Reaching Beyond the Anchor Site: Inhibitor Design Mimicking the Mechanism of Linear Motif Recognition By the E. Coli Sliding Clamp To Be Published.
Page generated: Sat Dec 12 11:03:46 2020

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