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Chlorine in PDB 5lwo: Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K

Enzymatic activity of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K

All present enzymatic activity of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K:
3.2.1.17;

Protein crystallography data

The structure of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K, PDB code: 5lwo was solved by B.Loll, P.Consentius, U.Gohlke, R.Mueller, M.Kaupp, U.Heinemann, M.C.Wahl, T.Risse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.30 / 1.18
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 60.170, 60.170, 97.720, 90.00, 90.00, 120.00
R / Rfree (%) 14.1 / 16.4

Other elements in 5lwo:

The structure of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K also contains other interesting chemical elements:

Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K (pdb code 5lwo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K, PDB code: 5lwo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5lwo

Go back to Chlorine Binding Sites List in 5lwo
Chlorine binding site 1 out of 4 in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:13.2
occ:0.71
 HE1 A:HIS31 3.0 13.1 1.0
O A:HOH416 3.2 13.8 1.0
O A:HOH515 3.2 18.7 1.0
O A:HOH432 3.3 11.2 1.0
O A:HOH333 3.5 28.5 1.0
HB1 A:ALA49 3.5 13.8 1.0
HE2 A:HIS31 3.7 14.2 1.0
HB2 A:ALA49 3.7 13.8 1.0
CE1 A:HIS31 3.7 10.9 1.0
HD22 A:LEU66 3.9 15.2 1.0
HA A:ALA49 4.0 12.7 1.0
NE2 A:HIS31 4.0 11.8 1.0
CB A:ALA49 4.0 11.5 1.0
O A:HOH380 4.5 18.3 1.0
CA A:ALA49 4.6 10.6 1.0
OE1 A:GLN69 4.7 12.1 1.0
O A:HOH461 4.7 16.4 0.5
CD2 A:LEU66 4.7 12.6 1.0
O A:HOH568 4.8 22.0 1.0
ND1 A:HIS31 4.8 9.8 1.0
HB3 A:ALA49 4.9 13.8 1.0
HD21 A:LEU66 4.9 15.2 1.0

Chlorine binding site 2 out of 4 in 5lwo

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Chlorine binding site 2 out of 4 in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:12.4
occ:1.00
 H A:ARG145 2.4 10.0 1.0
H A:ASN144 2.8 10.2 1.0
HB2 A:ASN144 2.9 13.3 1.0
HB A:THR142 3.0 10.3 1.0
HA A:THR142 3.0 9.8 1.0
O A:HOH563 3.1 14.5 1.0
O A:HOH477 3.2 26.4 1.0
N A:ARG145 3.3 8.3 1.0
N A:ASN144 3.4 8.5 1.0
C A:THR142 3.4 7.8 1.0
CA A:THR142 3.5 8.2 1.0
HB2 A:ARG145 3.6 11.8 1.0
HB3 A:ARG145 3.6 11.8 1.0
CB A:THR142 3.6 8.6 1.0
HD2 A:PRO143 3.7 11.1 1.0
HG22 A:THR142 3.7 11.9 1.0
CB A:ASN144 3.8 11.1 1.0
N A:PRO143 3.8 8.2 1.0
O A:THR142 3.8 8.4 1.0
CA A:ASN144 3.9 9.4 1.0
CB A:ARG145 3.9 9.8 1.0
C A:ASN144 4.0 8.9 1.0
CG2 A:THR142 4.2 9.9 1.0
CA A:ARG145 4.2 8.5 1.0
CD A:PRO143 4.2 9.2 1.0
C A:PRO143 4.3 8.4 1.0
HB3 A:ASN144 4.3 13.3 1.0
HG2 A:PRO143 4.5 11.6 1.0
H A:ALA146 4.6 10.2 1.0
HD22 A:ASN144 4.6 21.5 1.0
CA A:PRO143 4.6 8.3 1.0
HG21 A:THR142 4.6 11.9 1.0
O A:HOH365 4.7 14.6 1.0
CG A:ASN144 4.7 15.7 1.0
HA A:ARG145 4.8 10.2 1.0
HA A:ASN144 4.8 11.2 1.0
OG1 A:THR142 4.9 9.3 1.0
HH22 A:ARG148 4.9 12.1 1.0
N A:THR142 4.9 8.5 1.0
HG1 A:THR142 4.9 11.1 1.0
CG A:PRO143 4.9 9.7 1.0
ND2 A:ASN144 5.0 17.9 1.0
HG23 A:THR142 5.0 11.9 1.0

Chlorine binding site 3 out of 4 in 5lwo

Go back to Chlorine Binding Sites List in 5lwo
Chlorine binding site 3 out of 4 in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:17.8
occ:0.78
 HZ2 A:LYS135 2.2 25.8 1.0
HD22 A:ASN132 2.3 14.5 1.0
O A:HOH387 3.0 14.5 1.0
NZ A:LYS135 3.1 21.5 1.0
HB2 A:ASN132 3.1 13.0 1.0
O A:HOH538 3.1 31.2 1.0
ND2 A:ASN132 3.1 12.1 1.0
HG12 A:VAL131 3.2 15.4 1.0
HD2 A:LYS135 3.2 18.8 1.0
HA A:ASN132 3.2 12.2 1.0
HZ3 A:LYS135 3.5 25.8 1.0
HE1 A:MET120 3.5 18.6 1.0
HZ1 A:LYS135 3.5 25.8 1.0
HD21 A:ASN132 3.7 14.5 1.0
CB A:ASN132 3.7 10.8 1.0
HE3 A:LYS135 3.7 22.6 1.0
CE A:LYS135 3.8 18.8 1.0
CA A:ASN132 3.8 10.2 1.0
CG A:ASN132 3.9 11.4 1.0
CD A:LYS135 3.9 15.7 1.0
CG1 A:VAL131 4.1 12.8 1.0
HG11 A:VAL131 4.1 15.4 1.0
N A:ASN132 4.1 10.3 1.0
H A:ASN132 4.3 12.3 1.0
HD3 A:LYS135 4.4 18.8 1.0
CE A:MET120 4.4 15.5 1.0
O A:HOH433 4.6 24.8 1.0
HB A:VAL131 4.6 13.8 1.0
C A:VAL131 4.6 10.4 1.0
HB3 A:ASN132 4.6 13.0 1.0
O A:HOH443 4.7 31.9 1.0
HE2 A:LYS135 4.7 22.6 1.0
HG13 A:VAL131 4.7 15.4 1.0
HE3 A:MET120 4.8 18.6 1.0
O A:GLU128 4.9 10.5 1.0
O A:VAL131 4.9 11.2 1.0
HE2 A:MET120 4.9 18.6 1.0
CB A:VAL131 4.9 11.5 1.0
O A:HOH566 4.9 40.9 1.0
O A:HOH561 4.9 18.1 1.0

Chlorine binding site 4 out of 4 in 5lwo

Go back to Chlorine Binding Sites List in 5lwo
Chlorine binding site 4 out of 4 in the Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Spin-Labelled T4 Lysozyme Mutant L115C-R119C-R1 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:46.8
occ:1.00
 O A:ILE58 2.7 14.2 1.0
O A:HOH555 2.7 33.1 1.0
O A:HOH553 2.8 26.9 1.0
HG22 A:VAL57 2.8 21.3 0.4
O A:HOH565 2.8 32.2 1.0
HG12 A:VAL57 3.0 22.3 0.6
HD13 A:LEU15 3.1 19.5 1.0
HG13 A:VAL57 3.2 22.3 0.6
HB3 A:LEU15 3.3 16.8 1.0
HA A:THR59 3.4 16.5 1.0
CG1 A:VAL57 3.4 18.6 0.6
HG21 A:VAL57 3.5 21.3 0.4
HG11 A:VAL57 3.5 22.3 0.6
CG2 A:VAL57 3.5 17.7 0.4
HD12 A:LEU15 3.6 19.5 1.0
C A:ILE58 3.6 13.1 1.0
HG23 A:VAL57 3.8 21.3 0.4
CD1 A:LEU15 3.8 16.2 1.0
HB2 A:LEU15 4.0 16.8 1.0
CB A:LEU15 4.0 14.0 1.0
HG22 A:THR59 4.2 20.1 1.0
CA A:THR59 4.2 13.7 1.0
N A:THR59 4.3 13.2 1.0
H A:ILE58 4.3 16.3 1.0
O A:HOH488 4.4 33.7 1.0
N A:ILE58 4.5 13.6 1.0
CG A:LEU15 4.5 14.7 1.0
HD11 A:LEU15 4.5 19.5 1.0
CA A:ILE58 4.7 12.7 1.0
HG13 A:VAL57 4.7 21.8 0.4
O A:HOH444 4.8 19.9 1.0
HD22 A:LEU15 4.8 18.1 1.0
CB A:VAL57 4.8 17.4 0.4
CG2 A:THR59 4.9 16.7 1.0
CB A:VAL57 4.9 17.8 0.6
O A:LEU15 4.9 14.9 1.0
HG23 A:THR59 4.9 20.1 1.0
HA A:ILE58 5.0 15.2 1.0

Reference:

P.Consentius, B.Loll, U.Gohlke, C.Alings, C.Muller, R.Muller, C.Teutloff, U.Heinemann, M.Kaupp, M.C.Wahl, T.Risse. Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins. J Phys Chem Lett V. 8 1113 2017.
ISSN: ESSN 1948-7185
PubMed: 28221042
DOI: 10.1021/ACS.JPCLETT.6B02971
Page generated: Fri Jul 26 12:17:19 2024

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