Chlorine in PDB 5ctu: Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment

Enzymatic activity of Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment

All present enzymatic activity of Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment:
5.99.1.3;

Protein crystallography data

The structure of Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment, PDB code: 5ctu was solved by O.A.Andersen, J.Barker, R.K.Cheng, J.Kahmann, B.Felicetti, M.Wood, C.Scheich, M.Mesleh, J.B.Cross, J.Zhang, Q.Yang, B.Lippa, M.D.Ryan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.86 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.660, 55.650, 51.140, 90.00, 101.01, 90.00
R / Rfree (%) 17.6 / 20.4

Other elements in 5ctu:

The structure of Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment (pdb code 5ctu). 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 Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment, PDB code: 5ctu:

Chlorine binding site 1 out of 1 in 5ctu

Go back to Chlorine Binding Sites List in 5ctu
Chlorine binding site 1 out of 1 in the Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment


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 the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:19.7
occ:1.00
 O A:HOH598 2.7 29.9 1.0
O A:HOH518 3.0 25.5 1.0
NE A:ARG144 3.1 9.2 1.0
N A:VAL88 3.3 6.7 1.0
CG2 A:VAL88 3.4 9.6 1.0
O A:HOH502 3.5 23.5 1.0
ND2 A:ASN145 3.6 10.3 1.0
N A:ASP89 3.7 10.6 1.0
NH2 A:ARG144 3.8 11.5 1.0
CD A:ARG144 3.8 7.5 1.0
CZ A:ARG144 3.8 9.1 1.0
CA A:VAL88 4.0 7.7 1.0
CA A:PRO87 4.1 6.6 1.0
C A:PRO87 4.2 6.3 1.0
C A:VAL88 4.2 9.1 1.0
OD1 A:ASP89 4.3 18.4 1.0
CB A:VAL88 4.3 8.6 1.0
CB A:ASP89 4.3 13.9 1.0
OD1 A:ASN145 4.4 11.8 1.0
CG A:ASN145 4.4 10.0 1.0
CB A:PRO87 4.5 6.9 1.0
CA A:ASP89 4.5 11.3 1.0
CG A:ARG144 4.5 7.5 1.0
CG A:ASP89 4.8 16.7 1.0

Reference:

M.F.Mesleh, J.B.Cross, J.Zhang, J.Kahmann, O.A.Andersen, J.Barker, R.K.Cheng, B.Felicetti, M.Wood, A.T.Hadfield, C.Scheich, T.I.Moy, Q.Yang, J.Shotwell, K.Nguyen, B.Lippa, R.Dolle, M.D.Ryan. Fragment-Based Discovery of Dna Gyrase Inhibitors Targeting the Atpase Subunit of Gyrb. Bioorg.Med.Chem.Lett. V. 26 1314 2016.
ISSN: ESSN 1464-3405
PubMed: 26786695
DOI: 10.1016/J.BMCL.2016.01.009
Page generated: Sat Dec 12 11:36:02 2020

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