Iron in PDB 6tz8: Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506

Enzymatic activity of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506

All present enzymatic activity of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506:
3.1.3.16; 5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506, PDB code: 6tz8 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.57 / 3.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.720, 120.700, 134.960, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 24.3

Other elements in 6tz8:

The structure of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506 also contains other interesting chemical elements:

Calcium (Ca) 8 atoms
Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506 (pdb code 6tz8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506, PDB code: 6tz8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6tz8

Go back to Iron Binding Sites List in 6tz8
Iron binding site 1 out of 2 in the Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:64.7
occ:1.00
OD2 A:ASP148 2.5 32.4 1.0
O2 A:SO4501 2.6 41.3 1.0
NE2 A:HIS122 2.6 34.3 1.0
OD2 A:ASP120 2.7 24.2 1.0
ZN A:ZN503 2.8 50.6 1.0
O4 A:SO4501 3.3 42.4 1.0
O A:HIS311 3.3 37.9 1.0
S A:SO4501 3.4 51.9 1.0
CE1 A:HIS122 3.4 32.5 1.0
CD2 A:HIS122 3.6 29.2 1.0
CG A:ASP148 3.7 30.6 1.0
O1 A:SO4501 3.7 59.3 1.0
CG A:ASP120 3.7 35.0 1.0
C A:HIS311 4.2 28.6 1.0
CA A:HIS311 4.3 28.9 1.0
CB A:ASP148 4.3 27.2 1.0
NH1 A:ARG152 4.4 34.7 1.0
ND1 A:HIS311 4.5 39.5 1.0
CE1 A:HIS229 4.5 28.7 1.0
OD1 A:ASP120 4.5 40.1 1.0
CB A:ASP120 4.5 31.2 1.0
OH A:TYR341 4.5 53.9 1.0
NE2 A:HIS229 4.6 26.4 1.0
ND1 A:HIS122 4.6 29.4 1.0
OD1 A:ASP148 4.7 33.5 1.0
O3 A:SO4501 4.7 35.2 1.0
NE2 A:HIS181 4.7 30.2 1.0
CG A:HIS122 4.7 28.1 1.0
CE1 A:PHE336 4.8 31.0 1.0
CD2 A:HIS181 4.8 28.9 1.0
OD1 A:ASN180 4.9 28.6 1.0

Iron binding site 2 out of 2 in 6tz8

Go back to Iron Binding Sites List in 6tz8
Iron binding site 2 out of 2 in the Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cryptococcus Neoformans Calceineurin A, Calcineurin B, and FKBP12 with Fk-506 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:72.7
occ:1.00
OD2 D:ASP148 2.4 37.6 1.0
NE2 D:HIS122 2.5 43.0 1.0
O4 D:SO4500 2.5 54.6 1.0
OD2 D:ASP120 2.8 33.7 1.0
ZN D:ZN502 2.8 45.8 1.0
O2 D:SO4500 3.0 43.1 1.0
S D:SO4500 3.2 55.2 1.0
O D:HIS311 3.4 46.5 1.0
CE1 D:HIS122 3.4 40.9 1.0
CD2 D:HIS122 3.5 40.9 1.0
O3 D:SO4500 3.5 54.5 1.0
CG D:ASP148 3.6 29.1 1.0
CG D:ASP120 3.9 35.5 1.0
CB D:ASP148 4.3 28.7 1.0
C D:HIS311 4.3 32.4 1.0
NH1 D:ARG152 4.3 45.9 1.0
OH D:TYR341 4.3 52.6 1.0
CA D:HIS311 4.5 34.5 1.0
ND1 D:HIS122 4.5 37.7 1.0
O1 D:SO4500 4.5 42.6 1.0
ND1 D:HIS311 4.6 45.2 1.0
OD1 D:ASP148 4.6 28.1 1.0
CE1 D:HIS229 4.6 33.0 1.0
CG D:HIS122 4.6 30.6 1.0
CB D:ASP120 4.6 30.5 1.0
NE2 D:HIS229 4.6 33.8 1.0
OD1 D:ASN180 4.8 26.8 1.0
NE2 D:HIS181 4.8 31.9 1.0
OD1 D:ASP120 4.8 43.2 1.0
CE1 D:PHE336 5.0 22.9 1.0

Reference:

P.R.Juvvadi, D.Fox 3Rd, B.G.Bobay, M.J.Hoy, S.M.C.Gobeil, R.A.Venters, Z.Chang, J.J.Lin, A.F.Averette, D.C.Cole, B.C.Barrington, J.D.Wheaton, M.Ciofani, M.Trzoss, X.Li, S.C.Lee, Y.L.Chen, M.Mutz, L.D.Spicer, M.A.Schumacher, J.Heitman, W.J.Steinbach. Harnessing Calcineurin-FK506-FKBP12 Crystal Structures From Invasive Fungal Pathogens to Develop Antifungal Agents. Nat Commun V. 10 4275 2019.
ISSN: ESSN 2041-1723
PubMed: 31537789
DOI: 10.1038/S41467-019-12199-1
Page generated: Sun Dec 13 17:14:52 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy