Calcium in PDB 6qxr: 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa.

Protein crystallography data

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa., PDB code: 6qxr was solved by M.C.Nguyen, L.Mourey, J.D.Pedelacq, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.75 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.361, 60.589, 66.365, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 17.9

Other elements in 6qxr:

The structure of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. (pdb code 6qxr). 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 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa., PDB code: 6qxr:

Calcium binding site 1 out of 1 in 6qxr

Go back to Calcium Binding Sites List in 6qxr
Calcium binding site 1 out of 1 in the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus at pH 8.5 with MN2+ and Coa. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:21.5
occ:1.00
HE22 A:GLN77 2.4 16.0 1.0
HB2 A:ASP74 2.9 23.5 1.0
H A:LYS75 2.9 17.4 1.0
HG2 A:LYS75 3.0 21.0 1.0
O A:HOH631 3.0 23.8 1.0
O A:HOH606 3.0 17.6 1.0
H A:ASP74 3.1 17.3 1.0
NE2 A:GLN77 3.3 13.3 1.0
N A:ASP74 3.6 14.4 1.0
N A:LYS75 3.6 14.5 1.0
CG A:LYS75 3.8 17.5 1.0
CB A:ASP74 3.8 19.6 1.0
HB2 A:LYS75 3.8 20.7 1.0
HE21 A:GLN77 3.8 16.0 1.0
HA3 A:GLY73 3.9 16.1 1.0
HG3 A:LYS75 3.9 21.0 1.0
HZ A:PHE160 3.9 15.1 1.0
OE1 A:GLN77 4.0 14.2 1.0
CD A:GLN77 4.1 13.6 1.0
CA A:ASP74 4.1 15.9 1.0
CB A:LYS75 4.2 17.2 1.0
HB3 A:ASP74 4.3 23.5 1.0
C A:ASP74 4.3 15.2 1.0
C A:GLY73 4.4 15.3 1.0
CA A:GLY73 4.5 13.4 1.0
HZ3 A:LYS75 4.5 32.7 1.0
CA A:LYS75 4.5 15.8 1.0
CG A:ASP74 4.7 29.6 1.0
HA2 A:GLY73 4.7 16.1 1.0
CZ A:PHE160 4.8 12.6 1.0
HE2 A:PHE160 4.8 16.1 1.0
HE2 A:LYS75 4.9 26.3 1.0
OD2 A:ASP74 5.0 31.2 1.0
CD A:LYS75 5.0 20.1 1.0
HA A:ASP74 5.0 19.1 1.0

Reference:

M.C.Nguyen, O.Saurel, C.Carivenc, S.Gavalda, S.Saitta, M.P.Tran, A.Milon, C.Chalut, C.Guilhot, L.Mourey, J.D.Pedelacq. Conformational Flexibility of Coenzyme A and Its Impact on the Post-Translational Modification of Acyl Carrier Proteins By 4'-Phosphopantetheinyl Transferases. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 32128972
DOI: 10.1111/FEBS.15273
Page generated: Sat Dec 12 07:28:11 2020

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