Iron in PDB 5hdr: Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine

The structure of Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine, PDB code: 5hdr was solved by D.W.Wright, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.91 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.500, 188.760, 98.140, 90.00, 93.89, 90.00
R / Rfree (%)	20.1 / 24.4

The binding sites of Iron atom in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine (pdb code 5hdr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine, PDB code: 5hdr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine


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 A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:0.7 occ:1.00 FE A:H79504 0.0 0.7 1.0 CAP A:H79504 1.9 0.2 1.0 CBD A:H79504 1.9 0.5 1.0 CAN A:H79504 1.9 1.0 1.0 CBB A:H79504 1.9 0.8 1.0 CAR A:H79504 1.9 0.4 1.0 CBC A:H79504 1.9 0.2 1.0 CAO A:H79504 1.9 0.4 1.0 CBE A:H79504 1.9 0.2 1.0 CBA A:H79504 1.9 0.1 1.0 CAQ A:H79504 1.9 0.2 1.0 CAM A:H79504 3.2 1.0 1.0 CAL A:H79504 4.2 0.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine


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 A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe504 b:0.2 occ:1.00 FE B:H79504 0.0 0.2 1.0 CAO B:H79504 1.9 0.7 1.0 CBD B:H79504 1.9 0.4 1.0 CBB B:H79504 1.9 0.3 1.0 CBE B:H79504 1.9 0.8 1.0 CBA B:H79504 1.9 0.7 1.0 CBC B:H79504 1.9 0.6 1.0 CAR B:H79504 1.9 0.7 1.0 CAQ B:H79504 2.0 0.6 1.0 CAN B:H79504 2.0 0.5 1.0 CAP B:H79504 2.0 0.3 1.0 CAM B:H79504 3.2 0.1 1.0 CAL B:H79504 4.1 0.6 1.0 NE1 B:TRP232 5.0 54.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe503 b:0.8 occ:1.00 FE C:H79503 0.0 0.8 1.0 CAP C:H79503 1.9 1.0 1.0 CAN C:H79503 1.9 0.1 1.0 CBB C:H79503 1.9 0.5 1.0 CBD C:H79503 1.9 0.9 1.0 CAR C:H79503 1.9 0.1 1.0 CAQ C:H79503 1.9 0.9 1.0 CBA C:H79503 1.9 0.4 1.0 CAO C:H79503 1.9 0.0 1.0 CBE C:H79503 1.9 0.3 1.0 CBC C:H79503 1.9 0.3 1.0 CAM C:H79503 3.2 0.3 1.0 CAL C:H79503 4.2 0.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S, 4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe502 b:0.7 occ:1.00 FE D:H79502 0.0 0.7 1.0 CBB D:H79502 1.9 1.0 1.0 CBD D:H79502 1.9 0.9 1.0 CAN D:H79502 1.9 0.9 1.0 CAP D:H79502 1.9 0.9 1.0 CAO D:H79502 1.9 0.6 1.0 CBC D:H79502 1.9 1.0 1.0 CAR D:H79502 1.9 0.1 1.0 CAQ D:H79502 1.9 0.6 1.0 CBE D:H79502 1.9 0.3 1.0 CBA D:H79502 1.9 0.1 1.0 CAM D:H79502 3.2 0.4 1.0 CAL D:H79502 4.3 0.5 1.0 CAK D:H79502 4.6 94.7 1.0

D.W.Wright, G.J.Davies. Crystal Structure of A Bacterial Fucosidase with Iminocyclitol (2S,3S,4R,5S)-3,4-Dihydroxy-2-Ethynyl-5-Methylpyrrolidine To Be Published.