Chlorine in PDB 4drt: Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89

The structure of Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89, PDB code: 4drt was solved by A.Kuzin, M.Su, S.Rajagopalan, J.Seetharaman, S.Sahdev, R.Xiao, C.Ciccosanti, D.Baker, J.K.Everett, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.54 / 2.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	50.114, 50.114, 134.205, 90.00, 90.00, 120.00
R / Rfree (%)	12.3 / 15.6

The structure of Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89 (pdb code 4drt). 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 Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89, PDB code: 4drt:

Chlorine binding site 1 out of 1 in the Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:55.5 occ:1.00 OH A:TYR137 2.3 26.4 1.0 CZ A:TYR137 3.2 24.4 1.0 CE2 A:TYR137 3.3 22.2 1.0 CD A:GLN57 3.5 27.2 1.0 NE2 A:GLN57 3.7 27.1 1.0 OE1 A:GLN57 3.7 28.1 1.0 CG A:GLN57 3.9 25.6 1.0 CB A:GLN57 4.1 21.8 1.0 O A:HOH543 4.3 26.1 1.0 CE1 A:TYR137 4.5 23.3 1.0 CD2 A:TYR137 4.6 20.4 1.0

S.Rajagopalan, C.Wang, K.Yu, A.P.Kuzin, F.Richter, S.Lew, A.E.Miklos, M.L.Matthews, J.Seetharaman, M.Su, J.F.Hunt, B.F.Cravatt, D.Baker. Design of Activated Serine-Containing Catalytic Triads with Atomic-Level Accuracy. Nat.Chem.Biol. V. 10 386 2014.
ISSN: ISSN 1552-4450
PubMed: 24705591
DOI: 10.1038/NCHEMBIO.1498