Chlorine in PDB 6htm: X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin

Protein crystallography data

The structure of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin, PDB code: 6htm was solved by P.Amara, J.M.Mouesca, M.Bella, C.Saragaglia, S.Gambarelli, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.05 / 1.70
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.530, 47.140, 113.900, 90.00, 108.90, 90.00
R / Rfree (%) 16.2 / 18.9

Other elements in 6htm:

The structure of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Bromine (Br) 6 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin (pdb code 6htm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin, PDB code: 6htm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6htm

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Chlorine binding site 1 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2510

b:31.9
occ:1.00
 O A:HOH2757 2.8 31.4 0.5
O A:HOH2735 2.8 38.5 1.0
O A:HOH2748 3.0 26.0 1.0
OG A:SER281 3.2 26.1 1.0
O A:HOH2937 3.2 36.0 0.5
CB A:SER281 3.4 26.5 1.0
N1 A:TSS2501 3.4 33.6 0.5
CG2 A:THR321 3.7 23.5 1.0
CE2 A:PHE202 3.9 23.9 1.0
CG1 A:VAL319 3.9 26.9 1.0
CZ A:PHE202 3.9 25.8 1.0
NH1 A:ARG323 3.9 24.3 1.0
CA A:TSS2501 4.0 33.6 0.5
CB A:VAL319 4.2 24.8 1.0
CD A:PRO283 4.3 26.3 1.0
CA A:SER281 4.4 26.6 1.0
CB A:PRO283 4.5 25.4 1.0
O A:VAL319 4.6 26.6 1.0
CG A:PRO283 4.6 25.2 1.0
CZ A:ARG323 4.7 26.1 1.0
NH2 A:ARG323 4.9 28.8 1.0
N A:PRO283 4.9 26.8 1.0
O A:HOH2758 4.9 36.8 0.8
CE1 A:PHE202 5.0 23.5 1.0

Chlorine binding site 2 out of 7 in 6htm

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Chlorine binding site 2 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2511

b:35.2
occ:0.25
 CL A:CL2511 0.0 35.2 0.2
CD2 A:TSS2501 0.5 35.5 0.5
CE3 A:TSS2501 1.3 33.8 0.5
CE2 A:TSS2501 1.3 34.5 0.5
CG A:TSS2501 1.7 35.2 0.5
CZ3 A:TSS2501 2.1 34.4 0.5
CZ2 A:TSS2501 2.1 34.4 0.5
CL A:CL2511 2.2 33.8 0.2
NE1 A:TSS2501 2.3 34.5 0.5
CH2 A:TSS2501 2.4 34.8 0.5
CD1 A:TSS2501 2.5 35.7 0.5
O A:HOH2747 2.8 35.3 0.5
CB A:TSS2501 2.8 34.4 0.5
O A:HOH2758 2.9 36.8 0.8
NH1 A:ARG323 3.3 24.3 1.0
O A:HOH2816 3.5 34.9 0.5
O A:HOH2955 3.6 35.5 0.5
CA A:TSS2501 3.7 33.6 0.5
O A:HOH2757 3.7 31.4 0.5
CZ A:ARG323 4.0 26.1 1.0
CG A:PRO88 4.1 20.1 1.0
CB A:THR321 4.1 23.9 1.0
NH2 A:ARG323 4.1 28.8 1.0
CG2 A:THR321 4.2 23.5 1.0
OG1 A:THR321 4.3 23.6 1.0
N1 A:TSS2501 4.4 33.6 0.5
CB A:PRO88 4.5 18.7 1.0
CZ A:PHE364 4.8 32.8 1.0
CD A:PRO88 4.9 19.1 1.0
O A:SER340 4.9 25.1 1.0
NE A:ARG323 4.9 24.9 1.0

Chlorine binding site 3 out of 7 in 6htm

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Chlorine binding site 3 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2511

b:33.8
occ:0.25
 CL A:CL2511 0.0 33.8 0.2
CZ2 A:TSS2501 0.3 34.4 0.5
CE2 A:TSS2501 1.2 34.5 0.5
CH2 A:TSS2501 1.7 34.8 0.5
NE1 A:TSS2501 2.2 34.5 0.5
CL A:CL2511 2.2 35.2 0.2
CD2 A:TSS2501 2.4 35.5 0.5
O A:HOH2816 2.6 34.9 0.5
CZ3 A:TSS2501 2.7 34.4 0.5
CE3 A:TSS2501 3.0 33.8 0.5
O A:SER340 3.2 25.1 1.0
CD1 A:TSS2501 3.3 35.7 0.5
CG A:TSS2501 3.4 35.2 0.5
OG1 A:THR322 3.5 26.9 1.0
CB A:THR321 3.6 23.9 1.0
O A:HOH2758 3.6 36.8 0.8
CG A:PRO88 3.7 20.1 1.0
O A:GLY342 3.9 27.8 1.0
N A:GLY342 3.9 25.6 1.0
N A:THR322 4.0 22.8 1.0
CD A:PRO88 4.1 19.1 1.0
C A:GLY342 4.2 23.8 1.0
C A:PRO341 4.2 25.6 1.0
C A:SER340 4.2 23.0 1.0
OG1 A:THR321 4.2 23.6 1.0
CG2 A:THR321 4.3 23.5 1.0
CA A:GLY342 4.3 24.9 1.0
OG A:SER340 4.4 24.3 1.0
CA A:PRO341 4.5 22.8 1.0
CA A:THR321 4.5 23.2 1.0
CB A:THR322 4.7 25.1 1.0
O A:PRO341 4.7 25.6 1.0
C A:THR321 4.7 23.6 1.0
N A:PRO341 4.8 22.4 1.0
CB A:TSS2501 4.8 34.4 0.5
NH1 A:ARG323 4.8 24.3 1.0
CA A:THR322 4.8 22.6 1.0
CB A:PRO88 4.8 18.7 1.0
O A:HOH2747 4.8 35.3 0.5
N A:ARG323 4.9 23.8 1.0
CB A:SER340 4.9 22.2 1.0
N A:SER343 4.9 21.3 1.0

Chlorine binding site 4 out of 7 in 6htm

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Chlorine binding site 4 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl512

b:24.6
occ:1.00
 N1 B:TSS502 2.9 37.9 0.3
O B:HOH715 3.0 26.2 1.0
O B:HOH887 3.2 35.3 0.8
OG B:SER281 3.2 18.1 1.0
O B:HOH693 3.4 36.2 1.0
CB B:SER281 3.4 16.6 1.0
O B:HOH1025 3.5 39.5 0.8
CG2 B:THR321 3.6 19.9 1.0
CA B:TSS502 3.8 36.2 0.3
CZ B:PHE202 3.9 19.2 1.0
CG1 B:VAL319 3.9 19.4 1.0
CE2 B:PHE202 3.9 19.0 1.0
NH1 B:ARG323 4.1 22.5 1.0
CB B:VAL319 4.2 20.1 1.0
CD B:PRO283 4.3 17.8 1.0
CA B:SER281 4.5 17.0 1.0
CB B:PRO283 4.5 20.8 1.0
O B:VAL319 4.5 20.9 1.0
CG B:PRO283 4.6 19.7 1.0
O B:HOH828 4.8 23.5 0.5
CZ B:ARG323 4.8 23.2 1.0
N B:PRO283 5.0 19.1 1.0
CB B:THR321 5.0 20.4 1.0
NH2 B:ARG323 5.0 23.8 1.0

Chlorine binding site 5 out of 7 in 6htm

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Chlorine binding site 5 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:24.2
occ:0.25
 CL B:CL513 0.0 24.2 0.2
CD2 B:TSS502 0.6 24.4 0.3
CE3 B:TSS502 1.2 24.4 0.3
CE2 B:TSS502 1.3 24.1 0.3
CG B:TSS502 1.8 26.1 0.3
CL B:CL513 1.9 24.2 0.2
CZ3 B:TSS502 1.9 25.0 0.3
CZ2 B:TSS502 2.0 24.2 0.3
CH2 B:TSS502 2.3 24.9 0.3
NE1 B:TSS502 2.3 23.9 0.3
CD1 B:TSS502 2.6 24.0 0.3
O B:HOH802 2.7 32.5 0.8
O B:HOH828 3.0 23.5 0.5
CB B:TSS502 3.0 32.3 0.3
NH1 B:ARG323 3.2 22.5 1.0
O B:HOH887 3.6 35.3 0.8
CA B:TSS502 3.7 36.2 0.3
O B:HOH756 3.8 26.4 0.5
CZ B:ARG323 3.9 23.2 1.0
CG B:PRO88 3.9 20.0 1.0
CB B:THR321 4.0 20.4 1.0
NH2 B:ARG323 4.0 23.8 1.0
CG2 B:THR321 4.1 19.9 1.0
N1 B:TSS502 4.3 37.9 0.3
OG1 B:THR321 4.3 18.8 1.0
CB B:PRO88 4.5 18.0 1.0
O B:SER340 4.6 21.2 1.0
CZ B:PHE364 4.6 25.9 1.0
CD B:PRO88 4.8 18.6 1.0
OG B:SER340 4.9 21.1 1.0
NE B:ARG323 5.0 18.1 1.0

Chlorine binding site 6 out of 7 in 6htm

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Chlorine binding site 6 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:24.2
occ:0.25
 CL B:CL513 0.0 24.2 0.2
CZ2 B:TSS502 0.5 24.2 0.3
CE2 B:TSS502 0.9 24.1 0.3
CH2 B:TSS502 1.8 24.9 0.3
CL B:CL513 1.9 24.2 0.2
NE1 B:TSS502 1.9 23.9 0.3
CD2 B:TSS502 2.1 24.4 0.3
CZ3 B:TSS502 2.6 25.0 0.3
CE3 B:TSS502 2.7 24.4 0.3
CD1 B:TSS502 3.0 24.0 0.3
O B:SER340 3.0 21.2 1.0
CG B:TSS502 3.0 26.1 0.3
O B:HOH756 3.2 26.4 0.5
O B:HOH828 3.4 23.5 0.5
CB B:THR321 3.5 20.4 1.0
CG B:PRO88 3.6 20.0 1.0
OG1 B:THR322 3.8 22.5 1.0
CD B:PRO88 3.9 18.6 1.0
C B:SER340 4.0 17.9 1.0
CG2 B:THR321 4.0 19.9 1.0
OG B:SER340 4.1 21.1 1.0
N B:GLY342 4.1 20.6 1.0
N B:THR322 4.1 18.1 1.0
OG1 B:THR321 4.2 18.8 1.0
O B:GLY342 4.3 23.4 1.0
C B:PRO341 4.3 21.8 1.0
O B:HOH802 4.4 32.5 0.8
NH1 B:ARG323 4.4 22.5 1.0
C B:GLY342 4.5 19.4 1.0
CA B:THR321 4.5 19.6 1.0
CA B:GLY342 4.5 21.2 1.0
CB B:TSS502 4.5 32.3 0.3
CB B:SER340 4.6 18.4 1.0
CA B:PRO341 4.6 21.7 1.0
CB B:PRO88 4.6 18.0 1.0
N B:PRO341 4.7 17.0 1.0
O B:PRO341 4.8 20.7 1.0
C B:THR321 4.9 18.0 1.0
CA B:SER340 5.0 18.2 1.0

Chlorine binding site 7 out of 7 in 6htm

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Chlorine binding site 7 out of 7 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with Bound Tryptamin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl514

b:48.2
occ:0.70
 O B:HOH771 1.8 46.1 0.3
ZN B:ZN515 2.2 31.6 0.7
NE2 B:HIS130 3.2 29.0 1.0
OE1 B:GLU126 3.4 38.5 1.0
OE2 B:GLU126 3.6 39.3 1.0
CD2 B:LEU167 3.9 27.2 1.0
CD B:GLU126 3.9 34.4 1.0
CE1 B:HIS130 3.9 29.6 1.0
O B:HOH968 4.2 56.9 1.0
CD2 B:HIS130 4.3 24.9 1.0
CD1 B:TYR129 4.4 21.9 1.0
O B:LEU167 4.4 28.0 1.0
CE1 B:TYR129 4.5 25.2 1.0
CG B:TYR129 4.7 19.1 1.0
CZ B:TYR129 4.9 26.1 1.0
CB B:LEU167 4.9 20.1 1.0
CG B:LEU167 5.0 25.3 1.0

Reference:

P.Amara, J.M.Mouesca, M.Bella, L.Martin, C.Saragaglia, S.Gambarelli, Y.Nicolet. Radical S-Adenosyl-L-Methionine Tryptophan Lyase (Nosl): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc. V. 140 16661 2018.
ISSN: ESSN 1520-5126
PubMed: 30418774
DOI: 10.1021/JACS.8B09142
Page generated: Sat Dec 12 13:06:21 2020

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