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Cadmium in PDB 6yf3: FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution

Enzymatic activity of FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution

All present enzymatic activity of FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution:
5.2.1.8;

Protein crystallography data

The structure of FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution, PDB code: 6yf3 was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.50 / 1.00
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.279, 57.279, 54.296, 90, 90, 90
R / Rfree (%) 15.7 / 15.8

Other elements in 6yf3:

The structure of FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution (pdb code 6yf3). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution, PDB code: 6yf3:

Cadmium binding site 1 out of 1 in 6yf3

Go back to Cadmium Binding Sites List in 6yf3
Cadmium binding site 1 out of 1 in the FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of FKBP12 in Complex with the Bmp Potentiator Compound 10 at 1.00A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd202

b:8.1
occ:1.00
O A:HOH407 2.2 11.0 1.0
OE2 A:GLU54 2.3 8.8 1.0
O A:HOH346 2.3 10.0 1.0
OE1 A:GLU54 2.4 8.0 1.0
CL A:CL204 2.5 10.3 1.0
CL A:CL203 2.6 9.2 0.5
CD A:GLU54 2.7 7.9 1.0
O A:HOH337 4.1 18.3 1.0
CG A:GLU54 4.2 8.6 1.0
NA A:NA205 4.2 31.3 0.5
CA A:PHE48 4.3 8.2 1.0
O A:HOH412 4.3 26.3 1.0
N A:MET49 4.4 8.4 1.0
O A:LYS47 4.5 9.2 1.0
CG A:MET49 4.7 10.3 1.0
C A:PHE48 4.7 7.8 1.0

Reference:

M.H.Larraufie, X.Gao, X.Xia, P.J.Devine, D.Liu, A.Harsch, J.Kallen, N.Savage, J.Ding, K.Tan, M.Mihalic, P.Krastel, G.Michaud, M.Salcius, A.Izaac, J.Gao, F.Harbinski, S.Roggo, S.Canham, S.Bushell, E.Altinoglu, P.Lustenberger, E.Williams, C.Fryer, F.Cong, L.Klickstein, J.Tallarico, R.Jain, D.M.Rothman, S.Wang. Phenotypic Screen Identifies Calcineurin-Sparing FK506 Analogues As Bmp Potentiators For Treatment of Acute Kidney Injury Cell Chem Biol 2021.
ISSN: ESSN 2451-9456
Page generated: Sat Apr 17 14:38:34 2021

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