Arsenic in PDB 4mou: Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282

The structure of Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282, PDB code: 4mou was solved by H.C.Chapman, D.R.Cooper, K.T.Geffken, M.T.Cymborowski, T.Osinski, M.Stead, B.Hillerich, M.Ahmed, J.B.Bonanno, R.Seidel, S.C.Almo, W.Minor, New Yorkstructural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.06 / 2.25
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	160.455, 160.455, 178.691, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.1

The binding sites of Arsenic atom in the Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282 (pdb code 4mou). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282, PDB code: 4mou:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282 within 5.0Å range: probe atom residue distance (Å) B Occ A:As300 b:78.6 occ:1.00 AS A:CAC300 0.0 78.6 1.0 O1 A:CAC300 1.7 64.1 1.0 O2 A:CAC300 1.7 81.5 1.0 C2 A:CAC300 2.0 72.8 1.0 C1 A:CAC300 2.0 78.8 1.0 NH2 A:ARG98 3.8 22.2 1.0 NE A:ARG98 3.8 20.3 1.0 O A:HOH478 3.8 33.5 1.0 N A:ASP94 4.2 20.5 1.0 CZ A:ARG98 4.2 21.3 1.0 CA A:ALA93 4.5 24.1 1.0 O A:THR92 4.6 27.2 1.0 O A:HOH573 4.7 43.5 1.0 O A:HOH553 4.8 36.3 1.0 CG A:ARG98 4.8 18.4 1.0 CD A:ARG98 4.9 19.9 1.0 C A:ALA93 4.9 22.8 1.0 CB A:ASP94 5.0 20.3 1.0

Arsenic binding site 2 out of 3 in the Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282 within 5.0Å range: probe atom residue distance (Å) B Occ B:As300 b:90.9 occ:1.00 AS B:CAC300 0.0 90.9 1.0 O1 B:CAC300 1.7 62.6 1.0 O2 B:CAC300 1.8 94.1 1.0 C1 B:CAC300 2.0 90.2 1.0 C2 B:CAC300 2.0 88.4 1.0 O B:HOH441 3.5 24.6 1.0 NE B:ARG98 3.9 20.3 1.0 NH2 B:ARG98 4.0 21.7 1.0 N B:ASP94 4.1 18.7 1.0 O B:THR92 4.2 25.6 1.0 O B:HOH503 4.3 32.4 1.0 CA B:ALA93 4.4 21.0 1.0 CZ B:ARG98 4.5 21.1 1.0 O B:HOH476 4.7 38.4 1.0 CB B:ASP94 4.8 18.1 1.0 C B:ALA93 4.8 19.3 1.0 CG B:ARG98 4.8 18.6 1.0 O B:ASP94 5.0 15.8 1.0 O B:HOH493 5.0 31.5 1.0 CD B:ARG98 5.0 19.4 1.0 CA B:ASP94 5.0 17.8 1.0

Arsenic binding site 3 out of 3 in the Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282 within 5.0Å range: probe atom residue distance (Å) B Occ C:As300 b:0.9 occ:1.00 AS C:CAC300 0.0 0.9 1.0 O2 C:CAC300 1.7 74.5 1.0 O1 C:CAC300 1.7 0.4 1.0 C1 C:CAC300 2.0 99.3 1.0 C2 C:CAC300 2.0 98.0 1.0 O C:HOH506 3.7 32.9 1.0 NH2 C:ARG98 3.8 29.8 1.0 NE C:ARG98 4.0 27.9 1.0 O C:HOH553 4.2 32.8 1.0 CZ C:ARG98 4.4 29.3 1.0 N C:ASP94 4.5 24.2 1.0 O C:HOH470 4.5 49.3 1.0 O C:THR92 4.5 31.1 1.0 CA C:ALA93 4.7 26.1 1.0 O C:HOH509 4.8 35.5 1.0 O C:HOH517 4.8 46.4 1.0

H.C.Chapman, D.R.Cooper, K.T.Geffken, M.T.Cymborowski, T.Osinski, M.Stead, B.Hillerich, M.Ahmed, J.B.Bonanno, R.Seidel, S.C.Almo, W.Minor, New York Structural Genomics Research Consortium (Nysgrc). Crystal Structure of An Enoyl-Coa Hydratase/Isomerase Family Member, Nysgrc Target 028282 To Be Published.