Calcium in PDB 4r5f: X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus

All present enzymatic activity of X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus:
2.8.1.7;

The structure of X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus, PDB code: 4r5f was solved by A.Pagnier, Y.Nicolet, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.66 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.620, 102.890, 108.590, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 20.1

The structure of X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus (pdb code 4r5f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus, PDB code: 4r5f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:48.0 occ:0.45 HO5 A:PG4405 2.1 83.7 1.0 O3 A:PG4405 2.5 72.3 1.0 O2 A:PG4405 2.5 57.4 1.0 H21 A:PG4405 2.6 59.6 1.0 O A:HOH811 2.7 58.6 1.0 O4 A:PG4405 2.8 49.2 1.0 O5 A:PG4405 2.8 69.8 1.0 H82 A:PG4405 2.9 82.7 1.0 C2 A:PG4405 3.0 49.6 1.0 O1 A:PG4405 3.0 55.5 1.0 C8 A:PG4405 3.2 68.9 1.0 H62 A:PG4405 3.3 66.2 1.0 C3 A:PG4405 3.3 57.5 1.0 C6 A:PG4405 3.3 55.1 1.0 C4 A:PG4405 3.4 70.6 1.0 C5 A:PG4405 3.5 65.2 1.0 H32 A:PG4405 3.5 69.0 1.0 C7 A:PG4405 3.5 59.1 1.0 C1 A:PG4405 3.5 51.3 1.0 HO1 A:PG4405 3.8 66.5 1.0 H22 A:PG4405 3.9 59.6 1.0 H41 A:PG4405 3.9 84.7 1.0 H72 A:PG4405 3.9 70.9 1.0 H51 A:PG4405 3.9 78.3 1.0 H12 A:PG4405 4.0 61.5 1.0 H81 A:PG4405 4.1 82.7 1.0 H42 A:PG4405 4.2 84.7 1.0 H31 A:PG4405 4.2 69.0 1.0 H52 A:PG4405 4.2 78.3 1.0 H11 A:PG4405 4.3 61.5 1.0 H61 A:PG4405 4.3 66.2 1.0 H71 A:PG4405 4.3 70.9 1.0 O A:HOH652 4.4 35.8 1.0 HA2 A:GLY166 4.8 82.1 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the D199K Mutant of the Cysteine Desulfurase Iscs From A. Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:18.8 occ:0.10 N1 A:PMP404 1.2 48.6 0.7 C6 A:PMP404 1.4 46.7 0.7 H6 A:PMP404 1.6 56.0 0.7 OD2 A:ASP173 2.4 24.8 1.0 HD22 A:ASN73 2.5 29.9 1.0 C2 A:PMP404 2.6 65.4 0.7 C5 A:PMP404 2.7 58.9 0.7 ND2 A:ASN73 3.1 24.9 1.0 HD21 A:ASN73 3.1 29.9 1.0 HB3 A:HIS98 3.2 39.6 1.0 HB2 A:HIS98 3.3 39.6 1.0 CG A:ASP173 3.3 19.5 1.0 OD1 A:ASP173 3.4 27.7 1.0 HB A:THR175 3.4 36.8 1.0 HG A:SER100 3.5 29.2 1.0 H5A2 A:PMP404 3.5 52.9 0.7 C3 A:PMP404 3.5 77.6 0.7 CB A:HIS98 3.5 33.0 1.0 C4 A:PMP404 3.5 80.5 0.7 C2A A:PMP404 3.5 61.4 0.7 CG A:HIS98 3.6 37.7 1.0 OG1 A:THR175 3.6 32.7 1.0 HB1 A:ALA69 3.6 26.7 1.0 H2A2 A:PMP404 3.6 73.7 0.7 C5A A:PMP404 3.7 44.1 0.7 H2A3 A:PMP404 3.7 73.7 0.7 HG1 A:THR175 3.7 39.2 1.0 HG21 A:THR175 3.7 42.0 1.0 OG A:SER100 3.8 24.4 1.0 ND1 A:HIS98 3.9 33.3 1.0 CB A:THR175 3.9 30.7 1.0 CD2 A:HIS98 4.1 40.6 1.0 O A:HOH823 4.2 61.8 0.7 HB3 A:ALA69 4.3 26.7 1.0 H5A1 A:PMP404 4.3 52.9 0.7 CG A:ASN73 4.3 23.3 1.0 CG2 A:THR175 4.3 35.0 1.0 CB A:ALA69 4.4 22.3 1.0 O A:HOH520 4.4 31.5 1.0 HD2 A:HIS98 4.4 48.7 1.0 H2A1 A:PMP404 4.5 73.7 0.7 HG21 A:THR194 4.5 34.6 1.0 CE1 A:HIS98 4.6 33.6 1.0 O4P A:PMP404 4.7 42.6 0.7 CB A:ASP173 4.7 21.4 1.0 NE2 A:HIS98 4.7 38.2 1.0 HG23 A:VAL101 4.8 31.1 1.0 O3 A:PMP404 4.8 66.9 0.7 OD1 A:ASN73 4.8 23.2 1.0 HB2 A:ALA69 4.9 26.7 1.0 HB2 A:ASP173 4.9 25.7 1.0 HG22 A:THR175 4.9 42.0 1.0 H A:THR175 4.9 30.2 1.0 C4A A:PMP404 4.9 84.9 0.7 H A:HIS98 5.0 41.4 1.0

A.Pagnier, Y.Nicolet, J.C.Fontecilla-Camps. Iscs From Archaeoglobus Fulgidus Has No Desulfurase Activity But May Provide A Cysteine Ligand For [FE2S2] Cluster Assembly. Biochim.Biophys.Acta 2014.
ISSN: ISSN 0006-3002
PubMed: 25447670
DOI: 10.1016/J.BBAMCR.2014.10.015