Calcium in PDB 6ghw: Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline

Enzymatic activity of Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline

All present enzymatic activity of Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline:
5.3.2.6;

Protein crystallography data

The structure of Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline, PDB code: 6ghw was solved by T.Pavkov-Keller, M.S.Lukesch, B.Wiltschi, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	35.93 / 2.30
*Space group*	H 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	85.296, 85.296, 155.463, 90.00, 90.00, 120.00
*R / R_free (%)*	28.8 / 32

Calcium Binding Sites:

The binding sites of Calcium atom in the Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline (pdb code 6ghw). 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 Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline, PDB code: 6ghw:

Calcium binding site 1 out of 1 in 6ghw

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Calcium Binding Sites List in 6ghw

Calcium binding site 1 out of 1 in the Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Substituting the Prolines of 4-Oxalocrotonate Tautomerase with Non- Canonical Analogue (2S)-3,4-Dehydroproline within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Ca101 b:45.9 occ:1.00	OD2	C:ASP32	2.5	37.7	1.0
	O	C:ARG29	2.5	35.4	1.0
	O	C:HOH216	2.6	37.8	1.0
	C	C:ARG29	3.5	30.9	1.0
	CG	C:ASP32	3.7	36.5	1.0
	CG	C:ARG29	3.8	35.2	1.0
	CA	C:ARG29	4.0	32.6	1.0
	OD1	C:ASP32	4.2	37.9	1.0
	CB	C:ARG29	4.4	30.8	1.0
	N	C:SER30	4.7	34.8	1.0
	CB	C:ASP32	4.8	35.4	1.0
	CD	C:ARG29	4.9	35.9	1.0
	CA	C:ASP32	4.9	32.1	1.0

Reference:

M.S.Lukesch, T.Pavkov-Keller, K.Gruber, K.Zangger, B.Wiltschi. Substituting the Catalytic Proline of 4-Oxalocrotonate Tautomerase with Non-Canonical Analogues Reveals A Finely Tuned Catalytic System. Sci Rep V. 9 2697 2019.
ISSN: ESSN 2045-2322
PubMed: 30804446
DOI: 10.1038/S41598-019-39484-9

Page generated: Wed Jul 9 14:24:29 2025

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