Chlorine in PDB 1a7d: Chloromet Myohemerythrin From Themiste Zostericola

The structure of Chloromet Myohemerythrin From Themiste Zostericola, PDB code: 1a7d was solved by L.J.Martins, C.P.Hill, W.R.Ellis Junior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.842, 81.260, 36.831, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.7

The structure of Chloromet Myohemerythrin From Themiste Zostericola also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Chloromet Myohemerythrin From Themiste Zostericola (pdb code 1a7d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Chloromet Myohemerythrin From Themiste Zostericola, PDB code: 1a7d:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Chloromet Myohemerythrin From Themiste Zostericola


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chloromet Myohemerythrin From Themiste Zostericola within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl176 b:11.1 occ:1.00 HZ3 A:LYS117 2.7 0.0 1.0 HZ1 A:LYS117 3.1 0.0 1.0 O A:HOH203 3.2 23.3 1.0 O A:HOH190 3.2 8.7 1.0 H1 A:HOH203 3.3 0.0 1.0 NZ A:LYS117 3.4 6.5 1.0 H1 A:HOH190 3.6 0.0 1.0 H2 A:HOH203 3.7 0.0 1.0 H2 A:HOH190 3.9 0.0 1.0 HZ2 A:LYS117 3.9 0.0 1.0 CD A:LYS117 4.2 5.8 1.0 H2 A:HOH315 4.3 0.0 1.0 CE A:LYS117 4.4 7.1 1.0 O A:HOH315 4.5 25.0 1.0 H1 A:HOH315 4.5 0.0 1.0 H2 A:HOH146 4.5 0.0 1.0 H1 A:HOH179 4.8 0.0 1.0

Chlorine binding site 2 out of 3 in the Chloromet Myohemerythrin From Themiste Zostericola


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chloromet Myohemerythrin From Themiste Zostericola within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl368 b:11.8 occ:1.00 HZ1 A:LYS108 2.3 0.0 1.0 H2 A:HOH288 3.1 0.0 1.0 NZ A:LYS108 3.3 7.8 1.0 HZ2 A:LYS108 3.5 0.0 1.0 CD1 A:TRP2 3.7 7.3 1.0 HZ3 A:LYS108 3.9 0.0 1.0 O A:HOH288 3.9 18.4 1.0 CE A:LYS108 4.0 7.5 1.0 H2 A:HOH178 4.1 0.0 1.0 O A:HOH178 4.2 11.7 1.0 HE1 A:TRP2 4.3 0.0 1.0 CD A:LYS108 4.4 7.0 1.0 NE1 A:TRP2 4.4 7.2 1.0 H1 A:HOH288 4.6 0.0 1.0 O A:HOH202 4.6 23.6 1.0 H1 A:HOH202 4.7 0.0 1.0 H A:GLU3 4.7 0.0 1.0 OG A:SER13 4.7 8.8 1.0 HG A:SER13 4.7 0.0 1.0 H2 A:HOH202 4.7 0.0 1.0 H2 A:HOH243 4.8 0.0 1.0 CG A:TRP2 4.8 7.6 1.0 CB A:SER13 4.8 7.0 1.0

Chlorine binding site 3 out of 3 in the Chloromet Myohemerythrin From Themiste Zostericola


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chloromet Myohemerythrin From Themiste Zostericola within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl119 b:7.8 occ:1.00 CL A:CFO119 0.0 7.8 1.0 FE2 A:CFO119 2.4 6.6 1.0 O A:CFO119 3.0 7.2 1.0 NE2 A:HIS25 3.1 5.5 1.0 CD2 A:HIS25 3.3 5.5 1.0 NE2 A:HIS54 3.3 5.0 1.0 OD2 A:ASP111 3.5 5.5 1.0 CD2 A:HIS54 3.5 4.4 1.0 CG1 A:ILE107 3.6 4.2 1.0 CD1 A:LEU103 3.7 6.3 1.0 CD2 A:HIS106 3.8 5.9 1.0 CE1 A:PHE55 4.0 5.2 1.0 CD1 A:ILE107 4.2 4.9 1.0 CE1 A:HIS25 4.2 5.4 1.0 CD1 A:ILE28 4.2 5.2 1.0 CG A:HIS25 4.4 4.4 1.0 CG A:ASP111 4.5 5.2 1.0 CE1 A:HIS54 4.5 5.7 1.0 NE2 A:HIS106 4.5 4.8 1.0 OE2 A:GLU58 4.5 5.9 1.0 FE1 A:CFO119 4.6 6.8 1.0 CG A:HIS54 4.8 4.9 1.0 CZ3 A:TRP102 4.8 5.8 1.0 OD1 A:ASP111 4.8 5.9 1.0 CG A:HIS106 4.8 4.5 1.0 ND1 A:HIS25 4.8 5.0 1.0 CZ A:PHE55 4.9 2.8 1.0 CD1 A:PHE55 4.9 4.5 1.0 CB A:HIS106 5.0 4.3 1.0 H A:ILE107 5.0 0.0 1.0

L.J.Martins, C.P.Hill, W.R.Ellis Jr.. Structures of Wild-Type Chloromet and L103N Hydroxomet Themiste Zostericola Myohemerythrins at 1.8 A Resolution. Biochemistry V. 36 7044 1997.
ISSN: ISSN 0006-2960
PubMed: 9188702
DOI: 10.1021/BI9630422