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Chlorine in PDB 1a7e: Hydroxomet Myohemerythrin From Themiste Zostericola

Protein crystallography data

The structure of Hydroxomet Myohemerythrin From Themiste Zostericola, PDB code: 1a7e 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 (°) 41.885, 81.170, 36.685, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.7

Other elements in 1a7e:

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

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hydroxomet Myohemerythrin From Themiste Zostericola (pdb code 1a7e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hydroxomet Myohemerythrin From Themiste Zostericola, PDB code: 1a7e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1a7e

Go back to Chlorine Binding Sites List in 1a7e
Chlorine binding site 1 out of 2 in the Hydroxomet 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 Hydroxomet Myohemerythrin From Themiste Zostericola within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl132

b:10.9
occ:1.00
HZ1 A:LYS108 2.2 0.0 1.0
NZ A:LYS108 3.2 6.1 1.0
H2 A:HOH340 3.2 0.0 1.0
HZ2 A:LYS108 3.4 0.0 1.0
O A:HOH234 3.5 45.9 1.0
H1 A:HOH137 3.7 0.0 1.0
H1 A:HOH234 3.7 0.0 1.0
HG A:SER13 3.7 0.0 1.0
HZ3 A:LYS108 3.8 0.0 1.0
CD1 A:TRP2 3.8 12.1 1.0
H2 A:HOH137 3.9 0.0 1.0
CE A:LYS108 4.0 5.2 1.0
H2 A:HOH234 4.1 0.0 1.0
O A:HOH340 4.2 24.0 1.0
HE1 A:TRP2 4.2 0.0 1.0
O A:HOH137 4.3 12.2 1.0
OG A:SER13 4.3 9.8 1.0
H2 A:HOH381 4.4 0.0 1.0
NE1 A:TRP2 4.4 11.9 1.0
CD A:LYS108 4.5 6.7 1.0
CB A:SER13 4.6 7.8 1.0
H1 A:HOH340 4.6 0.0 1.0
H1 A:HOH280 4.8 0.0 1.0
H A:GLU3 4.9 0.0 1.0
O A:HOH381 5.0 25.1 1.0
CG A:TRP2 5.0 12.5 1.0

Chlorine binding site 2 out of 2 in 1a7e

Go back to Chlorine Binding Sites List in 1a7e
Chlorine binding site 2 out of 2 in the Hydroxomet 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 Hydroxomet Myohemerythrin From Themiste Zostericola within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:12.0
occ:1.00
HZ3 A:LYS117 2.7 0.0 1.0
HZ1 A:LYS117 3.2 0.0 1.0
NZ A:LYS117 3.4 8.9 1.0
HZ2 A:LYS117 4.1 0.0 1.0
CD A:LYS117 4.2 8.9 1.0
CE A:LYS117 4.4 9.8 1.0
O A:GLY116 5.0 10.8 1.0

Reference:

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
Page generated: Sat Dec 12 08:31:23 2020

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