Calcium in PDB 1ra1: Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form)

Enzymatic activity of Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form)

All present enzymatic activity of Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form):
1.5.1.3;

Protein crystallography data

The structure of Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form), PDB code: 1ra1 was solved by M.R.Sawaya, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.90
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	74.890, 59.230, 38.900, 90.00, 106.27, 90.00
*R / R_free (%)*	14.7 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form) (pdb code 1ra1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form), PDB code: 1ra1:

Calcium binding site 1 out of 1 in 1ra1

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Calcium Binding Sites List in 1ra1

Calcium binding site 1 out of 1 in the Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form)

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (Reduced Form) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca700 b:66.8 occ:1.00	SD	A:MET20	2.6	52.7	1.0
	CG	A:MET16	2.8	38.1	1.0
	SD	A:MET16	2.8	49.0	1.0
	CE	A:MET20	3.3	59.1	1.0
	CB	A:VAL119	3.5	26.2	1.0
	CG2	A:VAL119	3.6	28.2	1.0
	CD	A:PRO21	3.6	19.7	1.0
	CB	A:MET16	3.6	26.6	1.0
	O	A:GLU120	3.6	28.0	1.0
	CG1	A:VAL119	4.0	30.4	1.0
	CG	A:MET20	4.3	40.9	1.0
	CA	A:MET20	4.3	18.5	1.0
	CG	A:PRO21	4.5	21.0	1.0
	CE	A:MET16	4.6	28.0	1.0
	C	A:GLU120	4.6	25.7	1.0
	N	A:GLU120	4.7	30.2	1.0
	CA	A:VAL119	4.8	24.8	1.0
	N	A:PRO21	4.8	16.7	1.0
	CB	A:MET20	4.8	26.0	1.0
	O	A:HOH714	4.9	22.4	1.0
	CA	A:MET16	4.9	21.8	1.0
	C	A:VAL119	4.9	28.8	1.0

Reference:

M.R.Sawaya, J.Kraut. Loop and Subdomain Movements in the Mechanism of Escherichia Coli Dihydrofolate Reductase: Crystallographic Evidence. Biochemistry V. 36 586 1997.
ISSN: ISSN 0006-2960
PubMed: 9012674
DOI: 10.1021/BI962337C

Page generated: Tue Jul 8 01:33:17 2025

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