Manganese in PDB 7d4l: X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0

Enzymatic activity of X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0

All present enzymatic activity of X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0:
1.5.1.3;

Protein crystallography data

The structure of X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0, PDB code: 7d4l was solved by Q.Wan, C.Dealwis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	27.41 / 1.60
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	34.293, 45.625, 98.974, 90, 90, 90
*R / R_free (%)*	17.7 / 19.6

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0 (pdb code 7d4l). 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 X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0, PDB code: 7d4l:

Manganese binding site 1 out of 1 in 7d4l

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Manganese Binding Sites List in 7d4l

Manganese binding site 1 out of 1 in the X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of E.Coli Dihydrofolate Reductase Complexed with Folate and Nadp+ at PH7.0 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn203 b:21.4 occ:0.62	O	A:ASP116	2.2	20.1	1.0
	O	A:HOH369	2.3	22.7	1.0
	ND1	A:HIS149	2.3	23.9	1.0
	CE1	A:HIS149	3.2	24.6	1.0
	CG	A:HIS149	3.4	22.3	1.0
	C	A:ASP116	3.4	20.6	1.0
	CB	A:HIS149	3.8	18.4	1.0
	CA	A:ALA117	4.0	18.8	1.0
	OD2	A:ASP116	4.0	34.4	1.0
	N	A:ALA117	4.1	17.2	1.0
	CG	A:ASP116	4.3	29.2	1.0
	CA	A:HIS149	4.3	20.6	1.0
	NE2	A:HIS149	4.3	26.2	1.0
	CD2	A:HIS149	4.5	22.7	1.0
	CB	A:ALA117	4.5	21.4	1.0
	CB	A:ASP116	4.5	16.9	1.0
	CA	A:ASP116	4.5	17.6	1.0
	OD1	A:ASP116	4.8	32.8	1.0
	O	A:SER148	4.8	24.8	1.0

Reference:

Q.Wan, B.C.Bennett, T.Wymore, Z.Li, M.A.Wilson, C.L.Brooks Iii, P.Langan, A.Kovalevsky, C.G.Dealwis. Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications For General Acid-Base Catalysis Acs Catalysis V. 11 5873 2021.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C00417

Page generated: Sun Oct 6 08:23:58 2024

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