Manganese in PDB 2ic3: Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097

Enzymatic activity of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097

All present enzymatic activity of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097, PDB code: 2ic3 was solved by K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.90 / 3.00
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	223.210, 67.610, 103.580, 90.00, 108.39, 90.00
*R / R_free (%)*	25.7 / 31

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097 (pdb code 2ic3). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097, PDB code: 2ic3:

Manganese binding site 1 out of 1 in 2ic3

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Manganese Binding Sites List in 2ic3

Manganese binding site 1 out of 1 in the Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Nonnucleoside Inhibitor Hby 097 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn561 b:89.1 occ:1.00	OD2	A:ASP498	2.2	78.4	1.0
	O	A:HOH564	2.2	84.8	1.0
	OD2	A:ASP443	2.2	74.6	1.0
	OE1	A:GLU478	2.3	64.2	1.0
	O	A:HOH563	2.3	98.0	1.0
	OD1	A:ASP443	2.4	74.4	1.0
	CG	A:ASP443	2.6	74.3	1.0
	CG	A:ASP498	3.2	71.4	1.0
	CD	A:GLU478	3.5	73.0	1.0
	OD1	A:ASP498	3.5	67.8	1.0
	OE2	A:GLU478	4.0	79.2	1.0
	CB	A:ASP443	4.1	70.4	1.0
	OD1	A:ASP549	4.3	0.3	1.0
	CB	A:ASP498	4.5	66.6	1.0
	CG	A:GLU478	4.7	75.8	1.0
	N	A:GLY444	4.8	74.7	1.0
	CA	A:ASP443	4.8	70.4	1.0

Reference:

K.Das, S.G.Sarafianos, A.D.Clark, P.L.Boyer, S.H.Hughes, E.Arnold. Crystal Structures of Clinically Relevant LYS103ASN/TYR181CYS Double Mutant Hiv-1 Reverse Transcriptase in Complexes with Atp and Non-Nucleoside Inhibitor Hby 097. J.Mol.Biol. V. 365 77 2007.
ISSN: ISSN 0022-2836
PubMed: 17056061
DOI: 10.1016/J.JMB.2006.08.097

Page generated: Sat Oct 5 14:27:02 2024

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