Chlorine in PDB 6c9b: The Structure of Mppp Soaked with the Products 4HKA and 2KA

The structure of The Structure of Mppp Soaked with the Products 4HKA and 2KA, PDB code: 6c9b was solved by L.Han, N.R.Silvaggi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.79 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.110, 108.830, 195.170, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 16.5

The binding sites of Chlorine atom in the The Structure of Mppp Soaked with the Products 4HKA and 2KA (pdb code 6c9b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Structure of Mppp Soaked with the Products 4HKA and 2KA, PDB code: 6c9b:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Structure of Mppp Soaked with the Products 4HKA and 2KA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Mppp Soaked with the Products 4HKA and 2KA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:36.2 occ:1.00 HH12 A:ARG352 2.5 29.6 1.0 HD21 A:ASN160 2.6 37.6 1.0 HH22 A:ARG352 2.6 34.2 1.0 H A:GLY28 3.0 30.8 1.0 HE1 A:PHE115 3.0 89.8 1.0 HA3 A:GLY28 3.1 29.7 1.0 HE3 A:LLP221 3.2 34.5 1.0 NH1 A:ARG352 3.3 24.6 1.0 NH2 A:ARG352 3.4 28.5 1.0 ND2 A:ASN160 3.4 31.3 1.0 N A:GLY28 3.6 25.7 1.0 NZ A:LLP221 3.6 27.9 1.0 HD22 A:ASN160 3.7 37.6 1.0 CE1 A:PHE115 3.7 74.8 1.0 CZ A:ARG352 3.8 26.3 1.0 CA A:GLY28 3.8 24.8 1.0 HH11 A:ARG352 3.9 29.6 1.0 HD1 A:PHE115 3.9 79.5 1.0 CE A:LLP221 3.9 28.8 1.0 HH21 A:ARG352 4.1 34.2 1.0 CD1 A:PHE115 4.2 66.3 1.0 HG11 A:VAL309 4.2 30.7 1.0 O3 A:LLP221 4.3 31.0 1.0 HA2 A:GLY28 4.4 29.7 1.0 C4' A:LLP221 4.4 29.3 1.0 HA A:ASP27 4.4 35.0 1.0 CG A:ASN160 4.5 25.2 1.0 HZ A:PHE191 4.5 46.5 1.0 HD3 A:LLP221 4.5 31.2 1.0 CZ A:PHE115 4.6 74.3 1.0 OD1 A:ASN160 4.7 24.2 1.0 HE2 A:LLP221 4.7 34.5 1.0 HZ A:PHE115 4.7 89.2 1.0 C A:ASP27 4.8 26.7 1.0 C A:GLY28 4.8 27.0 1.0 CD A:LLP221 4.9 26.0 1.0 HE1 A:PHE339 5.0 40.2 1.0

Chlorine binding site 2 out of 3 in the The Structure of Mppp Soaked with the Products 4HKA and 2KA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Mppp Soaked with the Products 4HKA and 2KA within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:33.4 occ:1.00 HH22 C:ARG352 2.6 30.4 1.0 HH12 C:ARG352 2.8 28.1 1.0 H C:GLY28 2.8 32.6 1.0 HD21 C:ASN160 3.0 29.4 1.0 HA3 C:GLY28 3.2 28.8 1.0 NH2 C:ARG352 3.4 25.4 1.0 HE3 C:LLP221 3.4 44.2 1.0 N C:GLY28 3.6 27.1 1.0 NH1 C:ARG352 3.6 23.4 1.0 ND2 C:ASN160 3.8 24.5 1.0 CA C:GLY28 3.9 24.0 1.0 NZ C:LLP221 3.9 28.1 1.0 CZ C:ARG352 4.0 28.2 1.0 HE1 C:PHE115 4.0 0.4 1.0 HH21 C:ARG352 4.0 30.4 1.0 HD22 C:ASN160 4.1 29.4 1.0 CE C:LLP221 4.2 36.9 1.0 HD1 C:PHE115 4.3 84.1 1.0 HH11 C:ARG352 4.3 28.1 1.0 O C:HOH664 4.3 47.6 1.0 HA C:ASP27 4.4 36.0 1.0 O3 C:LLP221 4.4 28.7 1.0 CE1 C:PHE115 4.4 86.1 1.0 HA2 C:GLY28 4.5 28.8 1.0 HG11 C:VAL309 4.6 31.6 1.0 CD1 C:PHE115 4.6 70.1 1.0 C4' C:LLP221 4.7 27.0 1.0 C C:ASP27 4.7 26.6 1.0 CG C:ASN160 4.8 22.0 1.0 C C:GLY28 4.9 24.6 1.0 HD3 C:LLP221 4.9 32.1 1.0 HE2 C:LLP221 4.9 44.2 1.0 HE1 C:PHE339 5.0 31.4 1.0

Chlorine binding site 3 out of 3 in the The Structure of Mppp Soaked with the Products 4HKA and 2KA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Mppp Soaked with the Products 4HKA and 2KA within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:28.6 occ:1.00 HH22 D:ARG352 2.4 27.6 1.0 HD21 D:ASN160 2.6 29.6 1.0 HH12 D:ARG352 2.6 29.2 1.0 HA3 D:GLY28 2.9 29.1 1.0 HE3 D:LLP221 3.0 33.3 1.0 H D:GLY28 3.2 28.9 1.0 NH2 D:ARG352 3.2 23.0 1.0 NH1 D:ARG352 3.4 24.3 1.0 ND2 D:ASN160 3.4 24.6 1.0 HE1 D:PHE115 3.5 42.6 1.0 NZ D:LLP221 3.6 25.1 1.0 HD22 D:ASN160 3.7 29.6 1.0 CA D:GLY28 3.7 24.2 1.0 CZ D:ARG352 3.8 24.1 1.0 N D:GLY28 3.8 24.0 1.0 CE D:LLP221 3.8 27.7 1.0 HH21 D:ARG352 3.9 27.6 1.0 HD1 D:PHE115 4.0 47.3 1.0 CE1 D:PHE115 4.1 35.5 1.0 HH11 D:ARG352 4.1 29.2 1.0 O3 D:LLP221 4.2 27.0 1.0 HA2 D:GLY28 4.2 29.1 1.0 HG11 D:VAL309 4.3 28.1 1.0 CD1 D:PHE115 4.3 39.4 1.0 C4' D:LLP221 4.3 23.9 1.0 HZ D:PHE191 4.4 42.3 1.0 HD3 D:LLP221 4.4 40.4 1.0 CG D:ASN160 4.4 21.2 1.0 HE2 D:LLP221 4.5 33.3 1.0 OD1 D:ASN160 4.7 18.4 1.0 CD D:LLP221 4.7 33.6 1.0 C D:GLY28 4.8 23.6 1.0 HE1 D:PHE339 4.8 30.2 1.0 O D:HOH686 4.9 46.9 1.0 HA D:ASP27 4.9 38.0 1.0 HE1 D:PHE191 5.0 47.1 1.0 C D:ASP27 5.0 24.1 1.0

L.Han, N.Vuksanovic, S.A.Oehm, T.G.Fenske, A.W.Schwabacher, N.R.Silvaggi. Streptomyces Wadayamensis Mppp Is A Plp-Dependent Oxidase, Not An Oxygenase. Biochemistry V. 57 3252 2018.
ISSN: ISSN 1520-4995
PubMed: 29473729
DOI: 10.1021/ACS.BIOCHEM.8B00130