Chlorine in PDB 3k9u: Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum

The structure of Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum, PDB code: 3k9u was solved by E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, 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)	54.98 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.280, 70.577, 87.671, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.7

The structure of Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Bromine	(Br)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum (pdb code 3k9u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum, PDB code: 3k9u:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Paia Acetyltransferase (TA0374) 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 Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl160 b:33.0 occ:1.00 OH A:TYR45 2.9 27.6 1.0 CD A:ARG91 3.3 32.4 1.0 NE1 A:TRP40 3.4 30.3 1.0 CE2 A:TYR45 3.7 24.7 1.0 CZ A:TYR45 3.7 25.9 1.0 NE1 A:TRP24 3.7 28.1 1.0 CG A:ARG91 3.8 32.4 1.0 CZ2 A:TRP24 4.1 29.8 1.0 CE2 A:TYR93 4.1 25.1 1.0 CE2 A:TRP40 4.2 32.2 1.0 CE2 A:TRP24 4.2 26.0 1.0 CZ2 A:TRP40 4.2 34.7 1.0 NH2 A:ARG91 4.4 36.5 1.0 OH A:TYR93 4.4 28.4 1.0 CD1 A:TRP40 4.5 27.8 1.0 NE A:ARG91 4.5 34.0 1.0 CZ A:TYR93 4.6 24.6 1.0 CD1 A:TRP24 4.9 26.3 1.0 CZ A:ARG91 4.9 37.5 1.0 CD2 A:TYR93 4.9 23.5 1.0 CD2 A:TYR45 5.0 23.8 1.0 CE1 A:TYR45 5.0 23.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum


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 Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl163 b:59.0 occ:1.00 NE A:ARG129 3.5 34.7 1.0 NH1 A:ARG129 3.8 40.0 1.0 CZ A:ARG129 4.1 39.0 1.0 CD A:ARG129 4.4 33.0 1.0 CG A:ARG129 4.7 26.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Paia Acetyltransferase (TA0374) From Thermoplasma Acidophilum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl160 b:48.2 occ:1.00 CD B:ARG129 3.3 31.2 1.0 NH2 B:ARG129 3.4 39.3 1.0 NE B:ARG129 4.2 33.7 1.0 CZ B:ARG129 4.2 38.0 1.0 CG B:ARG129 4.5 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