Iron in PDB 3ib8: Crystal Structure of Full Length RV0805 in Complex with 5'-Amp

All present enzymatic activity of Crystal Structure of Full Length RV0805 in Complex with 5'-Amp:
3.1.4.17;

The structure of Crystal Structure of Full Length RV0805 in Complex with 5'-Amp, PDB code: 3ib8 was solved by M.Podobnik, U.Dermol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.75 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.400, 100.400, 80.801, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.8

The structure of Crystal Structure of Full Length RV0805 in Complex with 5'-Amp also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Iron atom in the Crystal Structure of Full Length RV0805 in Complex with 5'-Amp (pdb code 3ib8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Full Length RV0805 in Complex with 5'-Amp, PDB code: 3ib8:

Iron binding site 1 out of 1 in the Crystal Structure of Full Length RV0805 in Complex with 5'-Amp


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 Full Length RV0805 in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe444 b:17.0 occ:1.00 O A:HOH565 2.0 23.0 1.0 OD1 A:ASP21 2.1 25.4 1.0 NE2 A:HIS209 2.2 26.5 1.0 O3P A:AMP666 2.2 16.1 0.8 NE2 A:HIS23 2.2 27.0 1.0 OD2 A:ASP63 2.2 27.5 1.0 CE1 A:HIS23 3.1 27.1 1.0 CD2 A:HIS209 3.2 26.1 1.0 CG A:ASP21 3.2 26.8 1.0 CE1 A:HIS209 3.2 26.4 1.0 CG A:ASP63 3.2 25.8 1.0 CD2 A:HIS23 3.3 27.8 1.0 P A:AMP666 3.3 20.3 0.8 MN A:MN555 3.5 16.7 1.0 CB A:ASP63 3.5 26.0 1.0 O1P A:AMP666 3.7 16.7 0.8 CB A:ASP21 3.8 26.4 1.0 O5' A:AMP666 3.9 19.8 0.8 O A:HOH474 4.2 21.5 1.0 OD2 A:ASP21 4.2 27.4 1.0 ND1 A:HIS23 4.3 27.4 1.0 ND1 A:HIS209 4.3 27.1 1.0 CG A:HIS209 4.3 26.4 1.0 OD1 A:ASP63 4.4 25.1 1.0 CE1 A:HIS169 4.4 23.3 1.0 CG A:HIS23 4.4 26.8 1.0 O A:HIS207 4.4 27.1 1.0 NE2 A:HIS169 4.5 21.7 1.0 CA A:ASP21 4.5 26.0 1.0 CD2 A:HIS98 4.6 26.1 1.0 O2P A:AMP666 4.6 19.3 0.8 CA A:HIS207 4.7 26.8 1.0 NE2 A:HIS98 4.9 26.6 1.0 C A:HIS207 4.9 26.7 1.0

M.Podobnik, R.Tyagi, N.Matange, U.Dermol, A.K.Gupta, R.Mattoo, K.Seshadri, S.S.Visweswariah. A Mycobacterial Cyclic Amp Phosphodiesterase That Moonlights As A Modifier of Cell Wall Permeability J.Biol.Chem. V. 284 32846 2009.
ISSN: ISSN 0021-9258
PubMed: 19801656
DOI: 10.1074/JBC.M109.049635