Chlorine in PDB 6ltc: Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form

Protein crystallography data

The structure of Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form, PDB code: 6ltc was solved by T.Senda, A.Harada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.23 / 3.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 164.206, 102.719, 137.412, 90, 117.01, 90
R / Rfree (%) 21.9 / 26.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form (pdb code 6ltc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form, PDB code: 6ltc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6ltc

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Chlorine binding site 1 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1207

b:91.6
occ:1.00
ND2 A:ASN980 2.9 108.4 1.0
OG1 A:THR978 3.4 120.9 1.0
CG A:ASN980 4.2 108.8 1.0
CB A:THR978 4.2 122.6 1.0
N A:ASN980 4.6 119.1 1.0
N A:ALA979 4.7 119.8 1.0
CB A:ALA979 4.8 120.8 1.0
CB A:ASN980 4.8 110.1 1.0
CG2 A:THR978 4.9 127.9 1.0

Chlorine binding site 2 out of 6 in 6ltc

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Chlorine binding site 2 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1208

b:117.2
occ:1.00
NH2 A:ARG773 3.3 114.1 1.0
CG2 A:VAL802 3.6 107.3 1.0
N A:VAL802 3.8 105.2 1.0
CB A:VAL802 4.0 106.5 1.0
CA A:GLY770 4.4 115.4 1.0
CA A:VAL802 4.5 108.2 1.0
N A:GLY770 4.6 112.8 1.0
O A:VAL802 4.6 122.0 1.0
CZ A:ARG773 4.7 114.9 1.0
C A:ALA801 4.8 106.2 1.0
CA A:ALA801 4.9 108.6 1.0

Chlorine binding site 3 out of 6 in 6ltc

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Chlorine binding site 3 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1209

b:94.7
occ:1.00
CE1 A:HIS355 3.8 105.5 1.0
CL A:CL1210 3.8 105.5 1.0
CB A:ALA351 4.2 86.2 1.0
CA A:ALA351 4.6 93.8 1.0
NE2 A:HIS355 4.7 111.2 1.0
ND1 A:HIS355 4.8 105.5 1.0

Chlorine binding site 4 out of 6 in 6ltc

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Chlorine binding site 4 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1210

b:105.5
occ:1.00
O1 A:SO41206 3.5 101.6 1.0
CB A:ARG354 3.5 87.3 1.0
CA A:ALA351 3.6 93.8 1.0
O A:ARG350 3.8 92.3 1.0
N A:ALA351 3.8 95.9 1.0
CL A:CL1209 3.8 94.7 1.0
C A:ARG350 3.9 92.7 1.0
CB A:ALA351 4.3 86.2 1.0
S A:SO41206 4.6 106.4 1.0
CB A:ARG350 4.7 88.2 1.0
C A:ALA351 4.8 93.4 1.0
O4 A:SO41206 4.8 106.5 1.0
CA A:ARG354 4.9 99.7 1.0
O2 A:SO41206 4.9 110.5 1.0
O A:ALA351 5.0 97.2 1.0
CA A:ARG350 5.0 92.3 1.0

Chlorine binding site 5 out of 6 in 6ltc

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Chlorine binding site 5 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1211

b:112.2
occ:1.00
NH2 A:ARG163 3.2 100.4 1.0
CZ A:ARG163 4.1 95.8 1.0
NH1 A:ARG163 4.1 89.0 1.0
CD1 A:LEU131 4.3 113.2 1.0
CG1 A:VAL402 4.6 91.8 1.0
NE2 A:HIS403 4.8 117.4 1.0

Chlorine binding site 6 out of 6 in 6ltc

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Chlorine binding site 6 out of 6 in the Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form


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 Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1212

b:97.9
occ:1.00
N A:GLY433 3.5 82.3 1.0
CA A:SER432 4.2 94.0 1.0
O A:PHE435 4.2 90.6 1.0
CB A:SER432 4.2 88.9 1.0
C A:SER432 4.3 87.4 1.0
CA A:GLY433 4.3 81.8 1.0
OE2 A:GLU441 4.5 100.8 1.0
NE2 A:HIS430 4.9 82.2 1.0
OE1 A:GLU441 4.9 80.8 1.0

Reference:

T.Senda, A.Harada. Crystal Structure of Nonribosomal Peptide Synthetases (Nrps), FMOA3 (S1046A)-Alpha-Methyl-L-Serine-Amp Bound Form To Be Published.
Page generated: Sat Apr 3 14:03:56 2021

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