Chlorine in PDB 4ksf: Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35

The structure of Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35, PDB code: 4ksf was solved by F.Forouhar, H.Neely, J.Seetharaman, S.Sahdev, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.14 / 3.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	100.412, 100.412, 242.736, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 29.1

The structure of Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35 also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35 (pdb code 4ksf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35, PDB code: 4ksf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35


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 Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:41.3 occ:1.00 NE2 A:GLN285 3.1 52.6 1.0 N A:LEU173 3.5 46.2 1.0 NH1 A:ARG168 3.8 36.4 1.0 NH2 A:ARG168 3.9 42.9 1.0 O A:LEU171 4.1 45.4 1.0 CA A:THR172 4.1 43.4 1.0 CB A:LEU173 4.1 45.1 1.0 CZ A:ARG168 4.3 40.0 1.0 C A:THR172 4.3 45.0 1.0 CD A:GLN285 4.4 53.2 1.0 CA A:LEU173 4.4 46.1 1.0 CB A:THR172 4.8 43.3 1.0 CG2 A:THR172 4.9 43.0 1.0 C A:LEU171 5.0 43.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35


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 Malonyl-Coa Decarboxylase From Agrobacterium Vitis, Northeast Structural Genomics Consortium Target RIR35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:42.4 occ:1.00 NH2 A:ARG221 2.6 58.3 1.0 N A:ASN129 3.3 56.5 1.0 CZ A:ARG221 3.8 59.0 1.0 CA A:ASN129 3.9 56.3 1.0 C A:PRO128 4.2 56.9 1.0 CA A:PRO128 4.3 57.2 1.0 CD A:ARG221 4.5 56.8 1.0 NE A:ARG221 4.6 59.3 1.0 CB A:ASN129 4.6 55.3 1.0 NH1 A:ARG221 4.7 57.9 1.0

D.S.Froese, F.Forouhar, T.H.Tran, M.Vollmar, Y.S.Kim, S.Lew, H.Neely, J.Seetharaman, Y.Shen, R.Xiao, T.B.Acton, J.K.Everett, G.Cannone, S.Puranik, P.Savitsky, T.Krojer, E.S.Pilka, W.Kiyani, W.H.Lee, B.D.Marsden, F.Von Delft, C.K.Allerston, L.Spagnolo, O.Gileadi, G.T.Montelione, U.Oppermann, W.W.Yue, L.Tong. Crystal Structures of Malonyl-Coenzyme A Decarboxylase Provide Insights Into Its Catalytic Mechanism and Disease-Causing Mutations. Structure V. 21 1182 2013.
ISSN: ISSN 0969-2126
PubMed: 23791943
DOI: 10.1016/J.STR.2013.05.001