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Chlorine in PDB 4id4: Crystal Structure of Chimeric Beta-Lactamase Ctem-17M

Enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-17M

All present enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-17M:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-17M, PDB code: 4id4 was solved by J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.730, 58.720, 109.300, 90.00, 90.00, 90.00
R / Rfree (%) 11.5 / 13.8

Other elements in 4id4:

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-17M also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M (pdb code 4id4). 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 Chimeric Beta-Lactamase Ctem-17M, PDB code: 4id4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4id4

Go back to Chlorine Binding Sites List in 4id4
Chlorine binding site 1 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M


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 Chimeric Beta-Lactamase Ctem-17M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:6.7
occ:1.00
 O A:HOH453 3.2 10.8 1.0
NH2 A:ARG93 3.3 6.7 1.0
NH1 A:ARG93 3.3 6.9 1.0
CA A:THR141 3.6 5.1 1.0
CZ A:ARG93 3.8 6.2 1.0
CG2 A:THR141 4.0 5.1 1.0
CB A:THR141 4.2 4.9 1.0
N A:THR141 4.2 4.4 1.0
CG2 A:THR140 4.2 5.1 1.0
O A:THR140 4.2 4.7 1.0
C A:THR140 4.4 4.4 1.0
O A:THR141 4.6 5.1 1.0
C A:THR141 4.6 4.5 1.0
CD1 A:ILE95 4.8 8.6 1.0

Chlorine binding site 2 out of 5 in 4id4

Go back to Chlorine Binding Sites List in 4id4
Chlorine binding site 2 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M


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 Chimeric Beta-Lactamase Ctem-17M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:8.8
occ:1.00
 O A:HOH431 3.1 10.1 1.0
O A:HOH438 3.1 9.2 1.0
O A:HOH476 3.2 13.2 1.0
N A:LEU220 3.3 8.6 1.0
CA A:GLY218 3.5 10.3 1.0
C A:GLY218 3.5 9.6 1.0
N A:PRO219 3.6 8.4 1.0
CG A:LEU220 3.6 8.7 1.0
CB A:LEU220 3.6 8.5 1.0
CD A:PRO219 3.7 9.1 1.0
CB A:SER235 3.8 9.2 1.0
OG A:SER235 4.0 14.3 1.0
CA A:LEU220 4.0 8.5 1.0
CD1 A:ILE246 4.0 6.9 1.0
CD1 A:LEU220 4.1 9.8 1.0
O A:HOH638 4.1 24.5 1.0
O A:GLY218 4.1 10.3 1.0
CG A:PRO219 4.1 10.4 1.0
C A:PRO219 4.3 9.1 1.0
CA A:PRO219 4.5 9.4 1.0
N A:LEU221 4.5 9.4 1.0
O A:ALA217 4.5 13.8 1.0
OD2 A:ASP233 4.7 13.7 1.0
N A:GLY218 4.7 10.2 1.0
C A:LEU220 4.8 10.2 1.0
NH2 A:ARG244 4.9 8.8 1.0
CD2 A:LEU220 4.9 9.6 1.0
O A:HOH651 5.0 14.2 0.5

Chlorine binding site 3 out of 5 in 4id4

Go back to Chlorine Binding Sites List in 4id4
Chlorine binding site 3 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M


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 Chimeric Beta-Lactamase Ctem-17M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:14.9
occ:0.82
 O A:HOH498 3.0 16.7 1.0
O A:HOH777 3.1 44.5 1.0
N A:ARG61 3.2 7.2 1.0
CA A:PHE60 3.8 7.8 1.0
C A:PHE60 4.0 7.0 1.0
CD A:PRO62 4.0 8.7 1.0
CA A:ARG61 4.1 7.3 1.0
CD1 A:PHE60 4.4 11.5 1.0
O A:HOH506 4.5 18.5 1.0
O A:SER59 4.5 8.9 1.0
CG A:PHE60 4.7 8.3 1.0
N A:PHE60 4.7 7.2 1.0
CB A:PHE60 4.8 8.6 1.0
CE1 A:PHE60 4.9 15.1 1.0
C A:SER59 4.9 7.6 1.0
N A:PRO62 4.9 7.5 1.0
CG A:ARG61 5.0 8.0 1.0

Chlorine binding site 4 out of 5 in 4id4

Go back to Chlorine Binding Sites List in 4id4
Chlorine binding site 4 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M


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 Chimeric Beta-Lactamase Ctem-17M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:15.9
occ:0.84
 O A:HOH506 2.9 18.5 1.0
O A:HOH752 3.0 24.1 1.0
N A:GLU63 3.2 7.5 1.0
N A:PRO62 3.5 7.5 1.0
C A:ARG61 3.6 7.2 1.0
CD A:PRO62 3.6 8.7 1.0
CA A:ARG61 3.7 7.3 1.0
CA A:GLU63 3.7 8.1 1.0
CB A:GLU63 3.8 11.1 1.0
N A:GLU64 3.8 6.9 1.0
C A:GLU63 4.0 7.9 1.0
CG A:GLU64 4.0 8.5 1.0
CG A:PRO62 4.0 10.2 1.0
O A:ARG61 4.1 7.2 1.0
C A:PRO62 4.2 7.2 1.0
CA A:PRO62 4.4 8.4 1.0
CG A:GLU63 4.5 14.7 1.0
N A:ARG61 4.6 7.2 1.0
OE2 A:GLU64 4.7 11.5 1.0
CB A:ARG61 4.7 7.5 1.0
O A:GLU63 4.8 9.5 1.0
CA A:GLU64 4.8 6.9 1.0
CB A:GLU64 4.8 7.1 1.0
CD A:GLU64 4.9 9.4 1.0
CB A:PRO62 4.9 10.1 1.0

Chlorine binding site 5 out of 5 in 4id4

Go back to Chlorine Binding Sites List in 4id4
Chlorine binding site 5 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-17M


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 Chimeric Beta-Lactamase Ctem-17M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:11.7
occ:0.70
 O A:HOH524 2.9 17.0 1.0
O A:HOH473 2.9 13.0 1.0
CB A:ASP115 3.8 8.1 1.0
CA A:ASP115 3.8 7.3 1.0
O A:THR114 4.2 8.9 1.0
O A:HOH758 4.4 26.5 1.0
O A:HOH572 4.4 21.4 1.0
O A:ASP115 4.6 7.8 1.0
N A:ASP115 4.7 7.8 1.0
C A:THR114 4.8 7.6 1.0
C A:ASP115 4.8 7.0 1.0

Reference:

S.M.Gobeil, C.M.Clouthier, J.Park, D.Gagne, A.M.Berghuis, N.Doucet, J.N.Pelletier. Maintenance of Native-Like Protein Dynamics May Not Be Required For Engineering Functional Proteins. Chem.Biol. 2014.
ISSN: ISSN 1074-5521
PubMed: 25200606
DOI: 10.1016/J.CHEMBIOL.2014.07.016
Page generated: Sun Jul 21 16:35:20 2024

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