Calcium in PDB 4k9k: Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida

Enzymatic activity of Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida

All present enzymatic activity of Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida:
4.1.1.7;

Protein crystallography data

The structure of Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida, PDB code: 4k9k was solved by H.R.Brodkin, M.J.Mcleish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	22.95 / 1.30
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	81.263, 95.484, 136.814, 90.00, 90.00, 90.00
*R / R_free (%)*	13.9 / 15.4

Other elements in 4k9k:

The structure of Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida (pdb code 4k9k). 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 Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida, PDB code: 4k9k:

Calcium binding site 1 out of 1 in 4k9k

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Calcium Binding Sites List in 4k9k

Calcium binding site 1 out of 1 in the Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca602 b:12.4 occ:0.95	O1B	A:TPP601	2.2	12.4	0.9
	O	A:THR457	2.2	13.7	1.0
	O2A	A:TPP601	2.2	11.7	0.9
	OD1	A:ASN455	2.3	15.7	1.0
	OD1	A:ASP428	2.3	13.5	1.0
	O	A:HOH739	2.3	13.8	1.0
	CG	A:ASN455	3.2	16.4	1.0
	CG	A:ASP428	3.4	13.1	0.9
	C	A:THR457	3.5	13.8	1.0
	PA	A:TPP601	3.5	10.8	0.8
	PB	A:TPP601	3.5	11.5	0.8
	ND2	A:ASN455	3.6	17.9	1.0
	O3A	A:TPP601	3.7	9.1	0.7
	OD2	A:ASP428	4.0	15.7	0.9
	N	A:THR457	4.0	14.1	1.0
	N	A:ASP428	4.1	10.5	1.0
	N	A:GLY459	4.2	13.8	1.0
	O7	A:TPP601	4.2	10.9	0.7
	O	A:MET453	4.3	12.3	1.0
	N	A:GLY429	4.3	11.1	1.0
	CA	A:THR457	4.3	14.3	1.0
	O2B	A:TPP601	4.3	12.7	0.9
	N	A:ASN455	4.4	13.0	1.0
	N	A:TYR458	4.4	12.9	1.0
	O	A:HOH746	4.5	13.8	1.0
	CB	A:ASN455	4.5	15.8	1.0
	CA	A:TYR458	4.6	13.0	1.0
	N	A:GLY456	4.6	14.6	1.0
	O3B	A:TPP601	4.6	12.0	0.8
	CB	A:ASP428	4.6	11.6	1.0
	CG2	A:THR457	4.7	16.0	1.0
	O1A	A:TPP601	4.8	10.0	0.7
	CA	A:ASN455	4.8	14.8	1.0
	CA	A:ASP428	4.8	11.0	1.0
	CA	A:GLY427	4.8	10.6	1.0
	C	A:ASN455	4.8	15.2	1.0
	C	A:GLY427	4.8	10.6	1.0
	C	A:TYR458	4.9	13.0	0.8

Reference:

H.R.Brodkin, F.H.Andrews, A.C.Milne, G.A.Petsko, D.Ringe, M.J.Mcleish. Crystal Structure of the HIS281TYR Mutant of Benzoylformate Decarboxylase From Pseudomonas Putida To Be Published.

Page generated: Tue Jul 8 23:27:54 2025

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