Chlorine in PDB 3f0a: Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum

The structure of Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum, PDB code: 3f0a was solved by E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, S.Clancy, A.Joachimiak, W.F.Anderson, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.55 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.038, 69.038, 89.193, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.9

The structure of Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum (pdb code 3f0a). 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 Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum, PDB code: 3f0a:

Chlorine binding site 1 out of 1 in the Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Putative N-Acetyltransferase (TA0374) in Complex with Acetyl-Coa From Thermoplasma Acidophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl161 b:37.7 occ:1.00 OH A:TYR28 3.0 18.5 1.0 ND2 A:ASN131 3.2 23.9 1.0 N A:HIS128 3.3 25.7 1.0 CE1 A:TYR28 3.5 20.6 1.0 S1P A:ACO162 3.6 38.3 1.0 CZ A:TYR28 3.7 19.6 1.0 CB A:HIS128 3.8 24.4 1.0 C2P A:ACO162 3.8 36.6 1.0 CG2 A:VAL127 3.9 22.6 1.0 CB A:ASN131 3.9 25.9 1.0 CG A:ASN131 4.1 26.0 1.0 CA A:HIS128 4.1 25.2 1.0 CA A:VAL127 4.2 25.4 1.0 C A:VAL127 4.2 26.0 1.0 O A:HOH224 4.4 34.6 1.0 OH A:TYR93 4.6 28.1 1.0 CB A:VAL127 4.7 24.2 1.0 O A:HIS128 4.8 24.9 1.0 CD1 A:TYR28 4.8 21.8 1.0 O A:TYR126 4.9 25.5 1.0 C3P A:ACO162 5.0 31.0 1.0 C A:HIS128 5.0 25.8 1.0

E.V.Filippova, L.Shuvalova, G.Minasov, O.Kiryukhina, Y.Zhang, S.Clancy, I.Radhakrishnan, A.Joachimiak, W.F.Anderson. Crystal Structure of the Novel Paia N-Acetyltransferase From Thermoplasma Acidophilum Involved in the Negative Control of Sporulation and Degradative Enzyme Production. Proteins V. 79 2566 2011.
ISSN: ISSN 0887-3585
PubMed: 21633970
DOI: 10.1002/PROT.23062