Magnesium 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 / R_free (%)*	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:

Chlorine

(Cl)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the Atp Binding Domain of S. Aureus Gyrb Complexed with A Fragment, PDB code: 5ctu:

Magnesium binding site 1 out of 1 in 5ctu

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Magnesium Binding Sites List in 5ctu

Magnesium 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 Magnesium with other atoms in the Mg 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
B:Mg304 b:26.1 occ:1.00	O	B:HOH559	2.0	27.4	1.0
	O	B:HOH622	2.2	37.3	1.0
	OD1	B:ASN54	2.2	16.3	1.0
	O	B:HOH447	2.3	22.9	1.0
	O	B:HOH446	2.3	15.2	1.0
	O	B:HOH415	2.6	28.5	1.0
	N	B:GLY0	3.3	16.9	0.5
	CG	B:ASN54	3.4	13.2	1.0
	ND2	B:ASN54	4.1	14.3	1.0
	O	B:HOH403	4.1	17.7	0.5
	OD2	B:ASP53	4.2	8.9	0.5
	CD1	B:LEU5	4.3	22.3	0.5
	O	B:HOH616	4.4	36.8	1.0
	O	B:GLU50	4.4	8.2	1.0
	CB	B:ASN54	4.5	10.3	1.0
	CA	B:ASN54	4.5	8.2	1.0
	N	B:ASN54	4.5	7.6	1.0
	OD1	B:ASP57	4.6	17.2	1.0
	OE2	B:GLU50	4.6	17.2	1.0
	CA	B:GLY0	4.7	16.5	0.5
	O	B:HOH485	4.8	37.5	1.0
	C	B:ASP53	5.0	7.0	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: Sun Sep 29 02:18:13 2024

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