Chlorine in PDB 1ukm: Crystal Structure of EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia)

The structure of Crystal Structure of EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia), PDB code: 1ukm was solved by K.Horii, D.Okuda, T.Morita, H.Mizuno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.36 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.570, 59.933, 115.743, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia) (pdb code 1ukm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia), PDB code: 1ukm:

Chlorine binding site 1 out of 1 in the Crystal Structure of EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia)


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 EMS16, An Antagonist of Collagen Receptor Integrin ALPHA2BETA1 (Gpia/Iia) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1304 b:26.6 occ:1.00 O A:HOH1339 3.1 24.3 1.0 O B:HOH1362 3.1 36.4 1.0 O B:HOH1311 3.1 21.9 1.0 NH1 A:ARG73 3.4 25.1 1.0 NE A:ARG73 3.4 21.9 1.0 CH2 A:TRP25 3.7 14.8 1.0 NE A:ARG75 3.7 24.8 1.0 CB B:SER79 3.7 18.7 1.0 CA B:SER79 3.7 18.0 1.0 CZ A:ARG73 3.8 27.6 1.0 CZ A:ARG75 4.0 30.5 1.0 NH1 A:ARG75 4.0 29.0 1.0 CZ3 A:TRP25 4.3 16.3 1.0 CD A:ARG75 4.4 25.2 1.0 CD A:ARG73 4.5 20.3 1.0 N B:SER79 4.6 19.2 1.0 CZ2 A:TRP25 4.6 16.6 1.0 O A:HOH1438 4.6 55.9 1.0 O B:SER79 4.7 20.1 1.0 CG A:ARG75 4.7 27.8 1.0 C B:SER79 4.8 22.4 1.0 CG A:ARG73 4.8 24.0 1.0 O A:HOH1439 4.8 30.4 1.0 NH2 A:ARG75 4.9 22.8 1.0

K.Horii, D.Okuda, T.Morita, H.Mizuno. Structural Characterization of EMS16, An Antagonist of Collagen Receptor (Gpia/Iia) From the Venom of Echis Multisquamatus Biochemistry V. 42 12497 2003.
ISSN: ISSN 0006-2960
PubMed: 14580195
DOI: 10.1021/BI034890H