Chlorine in PDB 2fm7: Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase

The structure of Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase, PDB code: 2fm7 was solved by J.J.Almrud, M.L.Hackert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.00 / 2.80
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	80.863, 80.863, 117.038, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 30.1

The binding sites of Chlorine atom in the Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase (pdb code 2fm7). 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 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase, PDB code: 2fm7:

Chlorine binding site 1 out of 1 in the Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4- Oxalocrotonate Tautomerase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl9001 b:16.8 occ:1.00 N C:PRO1 3.7 16.2 1.0 NE D:ARG8 3.9 41.0 1.0 CD C:PRO1 3.9 16.2 1.0 NH2 D:ARG8 3.9 44.7 1.0 CE2 D:PHE50 4.0 31.1 1.0 O D:HOH9002 4.0 19.2 1.0 O D:HOH9018 4.1 22.1 1.0 CB C:SER37 4.2 23.3 1.0 CZ D:ARG8 4.4 43.5 1.0 CZ D:PHE50 4.5 31.9 1.0 OG C:SER37 4.7 23.9 1.0 CG D:ARG8 4.7 28.0 1.0 O C:SER37 4.8 20.9 1.0 CD1 D:ILE52 4.9 11.9 1.0 CD D:ARG8 4.9 36.1 1.0 CA C:PRO1 5.0 15.8 1.0 CD2 D:PHE50 5.0 30.3 1.0

G.J.Poelarends, J.J.Almrud, H.Serrano, J.E.Darty, W.H.Johnson, M.L.Hackert, C.P.Whitman. Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Biochemistry V. 45 7700 2006.
ISSN: ISSN 0006-2960
PubMed: 16784221
DOI: 10.1021/BI0600603