Iron in PDB 7adq: Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata

The structure of Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata, PDB code: 7adq was solved by T.M.Moreno-Chicano, A.E.Ebrahim, V.Srajer, R.W.Henning, B.C.Doak, M.Trebbin, D.C.F.Monteiro, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.66 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.8, 67.3, 67.5, 90, 90, 90
R / Rfree (%)	16.2 / 21.5

The binding sites of Iron atom in the Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata (pdb code 7adq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata, PDB code: 7adq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:14.5 occ:1.00 FE A:HEM302 0.0 14.5 1.0 NC A:HEM302 2.0 14.2 1.0 NA A:HEM302 2.0 11.6 1.0 NB A:HEM302 2.1 8.0 1.0 ND A:HEM302 2.1 18.5 1.0 NE2 A:HIS89 2.2 20.3 1.0 C4C A:HEM302 3.0 15.7 1.0 C4A A:HEM302 3.0 9.5 1.0 C1B A:HEM302 3.0 11.9 1.0 C1D A:HEM302 3.1 19.7 1.0 C1C A:HEM302 3.1 15.4 1.0 C1A A:HEM302 3.1 12.7 1.0 C4B A:HEM302 3.1 13.6 1.0 C4D A:HEM302 3.1 13.5 1.0 CE1 A:HIS89 3.2 18.0 1.0 CD2 A:HIS89 3.2 19.9 1.0 CHB A:HEM302 3.4 8.3 1.0 CHD A:HEM302 3.4 18.0 1.0 CHC A:HEM302 3.5 15.5 1.0 CHA A:HEM302 3.5 15.5 1.0 CG2 A:VAL59 3.9 9.3 1.0 C3C A:HEM302 4.3 16.3 1.0 C3A A:HEM302 4.3 15.9 1.0 C2B A:HEM302 4.3 12.5 1.0 ND1 A:HIS89 4.3 23.6 1.0 C2C A:HEM302 4.3 14.2 1.0 C2D A:HEM302 4.3 17.0 1.0 C2A A:HEM302 4.3 16.7 1.0 C3B A:HEM302 4.3 12.3 1.0 CG A:HIS89 4.3 18.2 1.0 C3D A:HEM302 4.3 17.6 1.0 CG1 A:VAL59 4.9 9.0 1.0 CB A:VAL59 5.0 10.2 1.0

Iron binding site 2 out of 2 in the Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Serial Laue Crystallography Structure of Dehaloperoxidase B From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:15.9 occ:1.00 FE B:HEM302 0.0 15.9 1.0 NC B:HEM302 2.0 17.2 1.0 NB B:HEM302 2.0 16.0 1.0 NA B:HEM302 2.0 9.7 1.0 ND B:HEM302 2.1 14.5 1.0 NE2 B:HIS89 2.2 16.8 1.0 C1C B:HEM302 3.1 15.1 1.0 C4C B:HEM302 3.1 14.7 1.0 C4B B:HEM302 3.1 14.2 1.0 C4A B:HEM302 3.1 13.2 1.0 C1B B:HEM302 3.1 14.8 1.0 C1A B:HEM302 3.1 17.6 1.0 C1D B:HEM302 3.1 15.4 1.0 C4D B:HEM302 3.1 17.9 1.0 CD2 B:HIS89 3.1 17.6 1.0 CE1 B:HIS89 3.3 21.6 1.0 CHC B:HEM302 3.4 12.9 1.0 CHB B:HEM302 3.4 12.9 1.0 CHD B:HEM302 3.4 16.7 1.0 CHA B:HEM302 3.5 16.2 1.0 C3C B:HEM302 4.3 16.0 1.0 C2C B:HEM302 4.3 12.4 1.0 CG2 B:VAL59 4.3 12.1 1.0 C2A B:HEM302 4.3 17.3 1.0 C3B B:HEM302 4.3 12.0 1.0 C3A B:HEM302 4.3 17.0 1.0 C2B B:HEM302 4.3 9.0 1.0 CG B:HIS89 4.3 19.2 1.0 C2D B:HEM302 4.3 19.4 1.0 ND1 B:HIS89 4.3 21.4 1.0 C3D B:HEM302 4.3 17.6 1.0 CE B:MET86 4.5 24.2 1.0 CG1 B:VAL59 4.7 11.7 1.0

T.M.Moreno-Chicano, L.M.Carey, D.Axford, J.H.Beale, H.M.E.Duyvesteyn, A.E.Ebrahim, D.A.Myles, S.Owada, D.A.Sherrell, M.Straw, H.Sugimoto, K.Tono, T.Tosha, R.W.Strange, J.W.Worrall, F.Meilleur, V.Srajer, R.W.Henning, B.C.Doak, M.Trebbin, D.C.F.Monteiro, R.L.Owen, R.Ghiladi, M.A.Hough. Complementarity of Neutron, Xfel and Synchrotron Crystallography For Defining the Structures of Metalloenzymes at Room Temperature To Be Published.