Chlorine in PDB 3ofw: Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus

The structure of Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus, PDB code: 3ofw was solved by R.Garcia-Fernandez, L.Redecke, T.Pons, M.Perbandt, A.Talavera, D.Gil, Y.Gonzalez, M.De Los Angeles Chavez, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.35 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	37.158, 37.158, 114.980, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus (pdb code 3ofw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus, PDB code: 3ofw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus


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 Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl59 b:43.2 occ:1.00 N A:VAL11 3.9 19.2 1.0 N A:GLY12 4.2 19.0 1.0 CB A:VAL11 4.4 18.5 1.0 CA A:LYS10 4.5 21.0 1.0 CG A:LYS10 4.5 21.6 1.0 CA A:VAL11 4.6 18.4 1.0 C A:LYS10 4.7 20.4 1.0 C A:VAL11 4.9 19.1 1.0 O A:LYS9 4.9 23.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus


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 Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl60 b:42.7 occ:1.00 NH2 A:ARG13 3.7 43.9 1.0 NH1 A:ARG13 4.1 45.6 1.0 CZ A:ARG13 4.4 44.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus


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 Recombinant Kunitz Type Serine Protease Inhibitor-1 From the Carribean Sea Anemone Stichodactyla Helianthus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl61 b:52.1 occ:1.00 CD2 A:HIS49 3.7 27.1 1.0 NH2 A:ARG52 3.7 37.2 1.0 NE A:ARG52 3.8 33.8 1.0 CA A:HIS49 4.1 20.2 1.0 CB A:HIS49 4.1 21.0 1.0 CZ A:ARG52 4.2 35.9 1.0 CG A:HIS49 4.2 24.8 1.0 N A:HIS49 4.7 18.6 1.0 NE2 A:HIS49 4.8 28.3 1.0 CD A:ARG52 4.9 29.6 1.0

R.Garcia-Fernandez, T.Pons, A.Meyer, M.Perbandt, Y.Gonzalez-Gonzalez, D.Gil, M.De Los Angeles Chavez, C.Betzel, L.Redecke. Structure of the Recombinant Bpti/Kunitz-Type Inhibitor Rshpi-1A From the Marine Invertebrate Stichodactyla Helianthus. Acta Crystallogr.,Sect.F V. 68 1289 2012.
ISSN: ESSN 1744-3091
PubMed: 23143234
DOI: 10.1107/S1744309112039085