Chlorine in PDB 4lvm: Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5

The structure of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5, PDB code: 4lvm was solved by R.Pluta, D.R.Boer, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.40 / 3.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.340, 130.120, 87.380, 90.00, 90.00, 90.00
R / Rfree (%)	25.5 / 29.4

The structure of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Manganese	(Mn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 (pdb code 4lvm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5, PDB code: 4lvm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:0.4 occ:1.00 O A:ASP128 3.1 0.0 1.0 C A:GLU129 3.4 0.1 1.0 O A:ASP34 3.5 0.7 1.0 O A:GLU129 3.6 0.5 1.0 CA A:GLU129 3.6 0.2 1.0 N A:SER130 3.7 0.7 1.0 C A:ASP128 3.9 0.5 1.0 N A:GLU129 4.1 0.6 1.0 CA A:SER130 4.3 0.6 1.0 OD1 A:ASN36 4.3 0.1 1.0 C A:ASP34 4.6 0.0 1.0 N A:ASN36 4.7 0.6 1.0 CA A:ILE35 4.7 0.7 1.0 OG A:SER130 4.8 0.1 1.0 C A:ILE35 4.9 0.1 1.0 CB A:GLU129 5.0 0.4 1.0 CG A:ASN36 5.0 0.4 1.0

Chlorine binding site 2 out of 5 in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:49.1 occ:1.00 NE2 C:GLN58 3.5 47.9 1.0 O C:SER118 4.0 47.6 1.0 CG C:GLN58 4.2 50.6 1.0 CB C:TYR62 4.3 63.3 1.0 CG C:TYR62 4.3 64.0 1.0 CD1 C:TYR62 4.4 65.4 1.0 CD C:GLN58 4.4 48.9 1.0 CD2 C:TYR62 4.8 64.5 1.0

Chlorine binding site 3 out of 5 in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:53.6 occ:1.00 N C:ARG39 3.0 44.4 1.0 CB C:SER38 3.2 47.3 1.0 CB C:ASN36 3.3 51.4 1.0 CG C:ASN36 3.4 50.0 1.0 O C:ASN36 3.4 49.8 1.0 CG C:ARG39 3.4 43.3 1.0 N C:SER38 3.4 48.0 1.0 ND2 C:ASN36 3.5 47.6 1.0 C2 B:DA1 3.5 54.4 1.0 OG C:SER38 3.5 46.9 1.0 C C:ASN36 3.5 50.2 1.0 N3 B:DA1 3.5 55.4 1.0 CA C:SER38 3.6 46.8 1.0 CB C:ARG39 3.6 43.2 1.0 C C:SER38 3.8 45.6 1.0 CA C:ARG39 3.9 43.1 1.0 N1 B:DA1 4.0 53.5 1.0 OD1 C:ASN36 4.0 51.0 1.0 N C:PRO37 4.0 49.8 1.0 CA C:ASN36 4.0 51.1 1.0 C4 B:DA1 4.1 55.6 1.0 C C:PRO37 4.2 48.7 1.0 CD C:ARG39 4.4 40.9 1.0 C6 B:DA1 4.5 54.0 1.0 C5 B:DA1 4.6 55.3 1.0 CA C:PRO37 4.7 49.4 1.0 CD C:PRO37 4.7 50.5 1.0 N9 B:DA1 4.9 56.5 1.0 O C:SER38 5.0 45.2 1.0

Chlorine binding site 4 out of 5 in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl204 b:65.3 occ:1.00 O C:GLU129 3.1 35.3 1.0 C C:GLU129 3.4 34.8 1.0 CA C:SER130 3.5 32.5 1.0 OD1 C:ASN36 3.6 51.0 1.0 ND2 C:ASN36 3.6 47.6 1.0 N C:SER130 3.7 33.6 1.0 CG C:ASN36 3.7 50.0 1.0 C4' B:DA1 3.7 58.2 1.0 O C:ASP128 3.9 33.6 1.0 O4' B:DA1 3.9 58.3 1.0 C5' B:DA1 4.3 56.8 1.0 CA C:GLU129 4.3 35.0 1.0 C C:SER130 4.3 31.0 1.0 O C:SER130 4.3 30.5 1.0 C C:ASP128 4.3 33.5 1.0 OG C:SER130 4.5 35.9 1.0 CB C:SER130 4.5 33.4 1.0 O3' B:DA1 4.6 62.5 1.0 CB C:ASN36 4.7 51.4 1.0 N C:GLU129 4.7 34.6 1.0 C3' B:DA1 4.8 59.8 1.0 O C:HOH302 4.9 2.0 1.0 N C:ASN36 4.9 52.1 1.0

Chlorine binding site 5 out of 5 in the Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mobm Relaxase Domain (Mobv; MOB_PRE) Bound to Plasmid PMV158 Orit Dna (23NT). Mn-Bound Crystal Structure at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl101 b:60.2 occ:1.00 N3 F:DT23 3.4 59.0 1.0 CE1 C:HIS186 3.6 97.2 1.0 N2 F:DG24 3.7 71.3 1.0 C2 F:DG24 3.8 69.9 1.0 N1 F:DG24 4.0 69.7 1.0 O2 F:DT23 4.0 61.4 1.0 ND1 C:HIS186 4.0 97.4 1.0 O4 F:DT23 4.1 58.4 1.0 C2 F:DT23 4.1 59.8 1.0 C4 F:DT23 4.2 58.4 1.0 N3 F:DG24 4.3 69.1 1.0 CD C:ARG7 4.6 58.0 1.0 C6 F:DG24 4.7 68.7 1.0 NE2 C:HIS186 4.8 98.1 1.0 C4 F:DG24 4.9 68.1 1.0

R.Pluta, D.R.Boer, S.Russi, C.Fernandez-Lopez, F.Lorenzo-Diaz, R.Perez-Luque, M.Espinosa, M.Coll. Structures of Dna-Mobm Relaxase Complexes Reveal A Histidine/Metal Catalysis For Dna Cleavage and Ligation To Be Published.