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Chlorine in PDB 2q3l: Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution, PDB code: 2q3l 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) 28.65 / 2.25
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 40.387, 113.963, 130.692, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 23.9

Other elements in 2q3l:

The structure of Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution (pdb code 2q3l). 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 An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution, PDB code: 2q3l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2q3l

Go back to Chlorine Binding Sites List in 2q3l
Chlorine binding site 1 out of 2 in the Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 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 An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl127

b:37.5
occ:1.00
OG A:SER66 2.9 49.0 1.0
O B:HOH133 3.2 33.7 1.0
O A:HOH137 3.2 34.7 1.0
N A:HIS31 3.4 44.4 1.0
CB A:SER66 3.6 51.0 1.0
CB A:HIS31 3.7 45.5 1.0
CB A:HIS68 3.8 44.1 1.0
CB B:SER66 3.9 50.0 1.0
CA A:THR30 4.0 45.5 1.0
CB A:THR30 4.1 44.5 1.0
OE1 A:GLU32 4.2 60.4 1.0
C A:THR30 4.2 46.3 1.0
CA A:HIS31 4.2 47.2 1.0
CL B:CL127 4.5 38.3 1.0
N A:ALA69 4.6 45.7 1.0
CG A:HIS68 4.6 48.7 1.0
CG2 A:THR30 4.7 45.2 1.0
ND1 A:HIS68 4.7 44.1 1.0
CA B:SER66 4.7 47.0 1.0
N A:HIS68 4.8 45.1 1.0
CA A:HIS68 4.8 45.1 1.0
OG B:SER66 4.9 50.3 1.0
N B:LEU67 5.0 47.2 1.0
O A:HOH154 5.0 47.5 1.0

Chlorine binding site 2 out of 2 in 2q3l

Go back to Chlorine Binding Sites List in 2q3l
Chlorine binding site 2 out of 2 in the Crystal Structure of An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 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 An Uncharacterized Protein From DUF3478 Family with A Spoiiaa-Like Fold (SHEW_3102) From Shewanella Loihica Pv-4 at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl127

b:38.3
occ:1.00
OG B:SER66 3.0 50.3 1.0
O B:HOH133 3.2 33.7 1.0
O B:HOH135 3.3 34.4 1.0
N B:HIS31 3.3 45.8 1.0
CB B:SER66 3.6 50.0 1.0
CB B:HIS31 3.7 43.8 1.0
CB B:HIS68 3.7 48.5 1.0
CB A:SER66 3.9 51.0 1.0
CB B:THR30 3.9 46.3 1.0
CA B:THR30 4.0 46.7 1.0
CA B:HIS31 4.1 46.4 1.0
C B:THR30 4.2 43.9 1.0
OE1 B:GLU32 4.4 59.0 1.0
CL A:CL127 4.5 37.5 1.0
CG B:HIS68 4.5 49.1 1.0
CG2 B:THR30 4.6 42.5 1.0
ND1 B:HIS68 4.6 47.5 1.0
N B:ALA69 4.7 48.2 1.0
CA A:SER66 4.8 47.6 1.0
CA B:HIS68 4.8 49.3 1.0
OG A:SER66 4.8 49.0 1.0
N B:HIS68 4.8 48.2 1.0
O B:HOH149 4.8 47.9 1.0
N A:LEU67 5.0 46.2 1.0

Reference:

A.Kumar, A.Lomize, K.K.Jin, D.Carlton, M.D.Miller, L.Jaroszewski, P.Abdubek, T.Astakhova, H.L.Axelrod, H.J.Chiu, T.Clayton, D.Das, M.C.Deller, L.Duan, J.Feuerhelm, J.C.Grant, A.Grzechnik, G.W.Han, H.E.Klock, M.W.Knuth, P.Kozbial, S.S.Krishna, D.Marciano, D.Mcmullan, A.T.Morse, E.Nigoghossian, L.Okach, R.Reyes, C.L.Rife, N.Sefcovic, H.J.Tien, C.B.Trame, H.Van Den Bedem, D.Weekes, Q.Xu, K.O.Hodgson, J.Wooley, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Open and Closed Conformations of Two Spoiiaa-Like Proteins (YP_749275.1 and YP_001095227.1) Provide Insights Into Membrane Association and Ligand Binding. Acta Crystallogr.,Sect.F V. 66 1245 2010.
ISSN: ESSN 1744-3091
PubMed: 20944218
DOI: 10.1107/S1744309109042481
Page generated: Sat Dec 12 09:16:12 2020

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