Iron in PDB 4xv5: Ccp Gateless Cavity

All present enzymatic activity of Ccp Gateless Cavity:
1.11.1.5;

The structure of Ccp Gateless Cavity, PDB code: 4xv5 was solved by M.Fischer, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.76 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.530, 76.830, 107.570, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 15

The binding sites of Iron atom in the Ccp Gateless Cavity (pdb code 4xv5). 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 Ccp Gateless Cavity, PDB code: 4xv5:

Iron binding site 1 out of 1 in the Ccp Gateless Cavity


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ccp Gateless Cavity within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:14.5 occ:1.00 FE A:HEM301 0.0 14.5 1.0 ND A:HEM301 1.9 13.1 1.0 NA A:HEM301 2.0 14.8 1.0 NC A:HEM301 2.1 13.3 1.0 NB A:HEM301 2.1 15.3 1.0 O A:HOH480 2.2 16.2 1.0 NE2 A:HIS175 2.2 13.7 1.0 C1D A:HEM301 2.9 13.6 1.0 C4D A:HEM301 2.9 13.8 1.0 C1A A:HEM301 3.0 15.9 1.0 C4C A:HEM301 3.0 14.0 1.0 C4A A:HEM301 3.1 15.1 1.0 C4B A:HEM301 3.1 12.5 1.0 C1B A:HEM301 3.1 13.2 1.0 C1C A:HEM301 3.1 12.9 1.0 CE1 A:HIS175 3.1 14.5 1.0 CD2 A:HIS175 3.2 14.5 1.0 CHA A:HEM301 3.4 14.6 1.0 CHD A:HEM301 3.4 13.2 1.0 CHC A:HEM301 3.5 12.7 1.0 CHB A:HEM301 3.5 14.4 1.0 NE1 A:TRP51 4.0 16.1 1.0 NE A:ARG48 4.0 17.1 0.7 C2D A:HEM301 4.2 14.2 1.0 C3D A:HEM301 4.2 13.9 1.0 C2A A:HEM301 4.2 15.5 1.0 C3A A:HEM301 4.2 14.9 1.0 C3C A:HEM301 4.2 14.0 1.0 O A:HOH496 4.2 20.6 1.0 C2C A:HEM301 4.3 12.6 1.0 ND1 A:HIS175 4.3 14.3 1.0 C2B A:HEM301 4.3 14.1 1.0 CG A:HIS175 4.3 12.9 1.0 C3B A:HEM301 4.3 12.9 1.0 O A:HOH453 4.4 31.4 0.4 CD1 A:TRP51 4.5 15.8 1.0 NH1 A:ARG48 4.6 16.3 0.7 CZ A:ARG48 4.8 18.9 0.7 CD A:ARG48 4.8 16.1 0.7 CG A:ARG48 4.8 15.6 0.7 C6 A:BZI302 4.9 21.3 1.0

M.Fischer, B.K.Shoichet, J.S.Fraser. Opposing Penalties For Fragment Binding Revealed By Multi-Temperature X-Ray Crystallography. To Be Published.