Bromine in PDB 6rby: Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative

Enzymatic activity of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative

All present enzymatic activity of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative:
2.7.1.23;

Protein crystallography data

The structure of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative, PDB code: 6rby was solved by M.Gelin, G.Labesse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.26 / 2.31
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	62.096, 76.700, 118.403, 90.00, 90.00, 90.00
*R / R_free (%)*	20.4 / 24.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative (pdb code 6rby). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative, PDB code: 6rby:

Bromine binding site 1 out of 1 in 6rby

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Bromine Binding Sites List in 6rby

Bromine binding site 1 out of 1 in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br302 b:88.6 occ:0.60	BR1	A:JYW302	0.0	88.6	0.6
	C2	A:JYW302	1.9	54.7	1.0
	N3	A:JYW302	2.9	47.7	1.0
	N1	A:JYW302	2.9	49.0	1.0
	O	A:HOH447	3.0	48.7	1.0
	C7	A:JYW302	3.4	54.6	1.0
	C6	A:JYW302	3.5	51.0	1.0
	CD1	A:LEU49	3.5	63.4	1.0
	CB	A:ASP45	3.6	40.8	1.0
	N	A:GLY46	3.8	45.2	1.0
	ND2	A:ASN122	3.9	45.8	1.0
	C	A:ASP45	3.9	43.7	1.0
	C3	A:JYW302	4.0	50.4	1.0
	C1	A:JYW302	4.0	51.2	1.0
	C8	A:JYW302	4.1	64.2	1.0
	CA	A:GLY46	4.2	35.3	1.0
	O	A:ASP45	4.3	46.2	1.0
	CG	A:LEU49	4.3	54.1	1.0
	CA	A:ASP45	4.4	40.0	1.0
	CG	A:ASP45	4.8	47.9	1.0
	O	A:HOH415	4.9	36.5	1.0
	CE1	A:HIS223	4.9	56.0	0.5

Reference:

M.Gelin, J.Paoletti, M.A.Nahori, V.Huteau, C.Leseigneur, G.Jouvion, L.Dugue, D.Clement, J.L.Pons, L.Assairi, S.Pochet, G.Labesse, O.Dussurget. From Substrate to Fragments to Inhibitor Activein Vivoagainststaphylococcus Aureus. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 32017533
DOI: 10.1021/ACSINFECDIS.9B00368

Page generated: Thu Jul 11 02:35:03 2024

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