Chlorine in PDB 2ets: Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution

The structure of Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution, PDB code: 2ets was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 2.25
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	93.473, 93.473, 101.164, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution (pdb code 2ets). 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 A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution, PDB code: 2ets:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution


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 A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl118 b:63.5 occ:1.00 ND2 A:ASN63 3.1 40.8 1.0 NH2 A:ARG65 3.1 49.4 1.0 CL A:CL119 3.6 65.0 1.0 NE A:ARG65 3.6 56.6 1.0 CZ A:ARG65 3.8 57.1 1.0 CG A:ASN63 4.0 48.4 1.0 CG A:LYS66 4.1 64.6 1.0 OD1 A:ASN63 4.1 53.3 1.0 CD A:LYS66 4.7 82.4 1.0 CB A:ARG65 4.8 47.8 1.0 CD A:ARG65 4.8 53.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution


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 A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl119 b:65.0 occ:1.00 O A:HOH124 3.0 38.9 1.0 CL A:CL118 3.6 63.5 1.0 NE A:ARG65 3.7 56.6 1.0 CB A:ARG65 3.8 47.8 1.0 CD A:ARG65 3.9 53.7 1.0 ND2 A:ASN63 4.2 40.8 1.0 OD1 A:ASN63 4.3 53.3 1.0 CG A:ASN63 4.4 48.4 1.0 CG A:ARG65 4.5 51.9 1.0 CZ A:ARG65 4.9 57.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution


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 A Bacterial Domain of Unknown Function From DUF1798 Family (MW1337) From Staphylococcus Aureus Subsp. Aureus at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl120 b:82.7 occ:1.00 O A:HOH162 2.9 61.0 1.0 CB A:GLN99 3.2 46.5 1.0 OE1 A:GLN103 3.6 49.4 1.0 CA A:GLN99 3.6 49.8 1.0 O A:GLN99 3.7 47.5 1.0 CG A:GLN99 3.7 51.6 1.0 CG2 A:ILE9 3.8 49.4 1.0 CG A:GLN103 4.0 51.2 1.0 C A:GLN99 4.0 49.1 1.0 CG1 A:ILE9 4.1 49.8 1.0 CD A:GLN103 4.3 59.8 1.0 CD A:GLN99 4.3 56.8 1.0 CD1 A:ILE9 4.3 54.7 1.0 NE2 A:GLN99 4.4 58.9 1.0 CB A:ILE9 4.5 51.8 1.0 CB A:LEU102 4.8 50.5 1.0

P.Kozbial, Q.Xu, H.J.Chiu, D.Mcmullan, S.S.Krishna, M.D.Miller, P.Abdubek, C.Acosta, T.Astakhova, H.L.Axelrod, D.Carlton, T.Clayton, M.Deller, L.Duan, Y.Elias, M.A.Elsliger, J.Feuerhelm, S.K.Grzechnik, J.Hale, G.W.Han, L.Jaroszewski, K.K.Jin, H.E.Klock, M.W.Knuth, E.Koesema, A.Kumar, D.Marciano, A.T.Morse, K.D.Murphy, E.Nigoghossian, L.Okach, S.Oommachen, R.Reyes, C.L.Rife, G.Spraggon, C.V.Trout, H.Van Den Bedem, D.Weekes, A.White, G.Wolf, C.Zubieta, K.O.Hodgson, J.Wooley, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Crystal Structures of MW1337R and LIN2004: Representatives of A Novel Protein Family That Adopt A Four-Helical Bundle Fold. Proteins V. 71 1589 2008.
ISSN: ISSN 0887-3585
PubMed: 18324683
DOI: 10.1002/PROT.22020