Iron in PDB 7dt0: Proline Hydroxylase H11-N101I Mutant

The structure of Proline Hydroxylase H11-N101I Mutant, PDB code: 7dt0 was solved by W.G.Gong, L.Y.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	102.60 / 2.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	121.91, 138.64, 152.55, 90, 90, 90
R / Rfree (%)	20.1 / 27

The binding sites of Iron atom in the Proline Hydroxylase H11-N101I Mutant (pdb code 7dt0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Proline Hydroxylase H11-N101I Mutant, PDB code: 7dt0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:29.9 occ:1.00 OD1 A:ASP116 2.0 28.5 1.0 NE2 A:HIS114 2.1 32.9 1.0 NE2 A:HIS214 2.2 37.6 1.0 O5 A:AKG501 2.3 42.5 1.0 O A:HOH601 2.3 36.9 1.0 O1 A:AKG501 2.3 44.4 1.0 C1 A:AKG501 2.6 58.7 1.0 C2 A:AKG501 2.7 53.8 1.0 CG A:ASP116 2.9 31.2 1.0 CE1 A:HIS114 3.0 34.5 1.0 CD2 A:HIS114 3.1 31.6 1.0 CE1 A:HIS214 3.1 34.9 1.0 OD2 A:ASP116 3.1 32.8 1.0 CD2 A:HIS214 3.3 33.7 1.0 O2 A:AKG501 3.4 63.6 1.0 ND1 A:HIS114 4.1 34.8 1.0 CG A:HIS114 4.2 33.3 1.0 C3 A:AKG501 4.2 56.9 1.0 ND1 A:HIS214 4.2 31.0 1.0 CG A:HIS214 4.3 33.9 1.0 CB A:ASP116 4.4 27.9 1.0 CG A:PRO503 4.5 45.6 1.0 CD A:PRO503 4.7 44.6 1.0 CA A:ASP116 4.8 28.9 1.0 N A:ASP116 4.9 28.4 1.0 C4 A:AKG501 4.9 60.1 1.0

Iron binding site 2 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:55.0 occ:1.00 OD1 B:ASP116 2.1 40.5 1.0 NE2 B:HIS214 2.4 26.5 1.0 O1 B:AKG501 2.4 39.0 1.0 NE2 B:HIS114 2.4 34.2 1.0 C1 B:AKG501 2.5 61.0 1.0 O5 B:AKG501 2.9 40.6 1.0 O2 B:AKG501 2.9 42.5 1.0 C2 B:AKG501 3.0 57.9 1.0 CG B:ASP116 3.1 35.5 1.0 CE1 B:HIS114 3.3 31.6 1.0 CD2 B:HIS214 3.3 25.8 1.0 CE1 B:HIS214 3.4 24.7 1.0 CD2 B:HIS114 3.4 35.8 1.0 OD2 B:ASP116 3.5 39.7 1.0 ND1 B:HIS114 4.4 36.6 1.0 CG B:HIS114 4.5 35.4 1.0 ND1 B:HIS214 4.5 25.9 1.0 CG B:HIS214 4.5 27.3 1.0 CB B:ASP116 4.5 33.0 1.0 C3 B:AKG501 4.5 64.5 1.0 CG B:PRO502 4.7 40.2 1.0 CA B:ASP116 4.8 31.0 1.0

Iron binding site 3 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:42.0 occ:1.00 NE2 C:HIS214 2.1 35.4 1.0 OD1 C:ASP116 2.2 39.6 1.0 C1 C:AKG501 2.3 78.8 1.0 NE2 C:HIS114 2.3 49.0 1.0 O2 C:AKG501 2.3 65.8 1.0 O1 C:AKG501 2.6 65.6 1.0 CE1 C:HIS214 2.7 31.7 1.0 O5 C:AKG501 2.8 56.8 1.0 C2 C:AKG501 2.9 79.9 1.0 CE1 C:HIS114 3.2 46.8 1.0 CD2 C:HIS114 3.2 46.4 1.0 CD2 C:HIS214 3.3 33.5 1.0 CG C:ASP116 3.3 45.6 1.0 OD2 C:ASP116 3.7 49.2 1.0 ND1 C:HIS214 3.9 33.7 1.0 CG C:HIS214 4.2 34.2 1.0 ND1 C:HIS114 4.2 47.0 1.0 CG C:HIS114 4.3 49.8 1.0 CG C:PRO503 4.4 93.6 1.0 C3 C:AKG501 4.5 84.2 1.0 CB C:ASP116 4.6 45.0 1.0 CA C:ASP116 4.9 47.2 1.0 CD C:PRO503 4.9 94.7 1.0

Iron binding site 4 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe502 b:35.5 occ:1.00 OD1 D:ASP116 2.0 36.6 1.0 NE2 D:HIS114 2.1 28.4 1.0 C1 D:AKG501 2.1 60.4 1.0 O2 D:AKG501 2.2 44.2 1.0 O5 D:AKG501 2.3 30.5 1.0 NE2 D:HIS214 2.3 35.8 1.0 C2 D:AKG501 2.5 57.5 1.0 O1 D:AKG501 2.7 52.8 1.0 CE1 D:HIS114 2.8 29.5 1.0 CG D:ASP116 3.1 35.0 1.0 CD2 D:HIS114 3.2 27.9 1.0 CD2 D:HIS214 3.2 32.7 1.0 CE1 D:HIS214 3.3 36.2 1.0 OD2 D:ASP116 3.4 41.9 1.0 ND1 D:HIS114 4.0 30.4 1.0 C3 D:AKG501 4.0 65.4 1.0 CG D:HIS114 4.2 29.3 1.0 CG D:HIS214 4.4 35.4 1.0 ND1 D:HIS214 4.4 34.9 1.0 CB D:ASP116 4.5 34.8 1.0 CG D:PRO503 4.7 54.5 1.0 CD D:PRO503 4.8 50.5 1.0 C4 D:AKG501 4.8 81.0 1.0 CA D:ASP116 4.9 38.2 1.0

Iron binding site 5 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe502 b:35.6 occ:1.00 C1 E:AKG501 2.1 67.6 1.0 NE2 E:HIS214 2.1 35.4 1.0 OD1 E:ASP116 2.1 51.5 1.0 NE2 E:HIS114 2.2 41.6 1.0 O5 E:AKG501 2.2 42.9 1.0 O1 E:AKG501 2.3 51.8 1.0 O2 E:AKG501 2.4 46.4 1.0 C2 E:AKG501 2.6 63.5 1.0 CE1 E:HIS214 2.9 33.7 1.0 CE1 E:HIS114 3.0 39.5 1.0 CG E:ASP116 3.1 43.7 1.0 CD2 E:HIS214 3.2 31.7 1.0 CD2 E:HIS114 3.2 38.8 1.0 OD2 E:ASP116 3.3 41.8 1.0 C3 E:AKG501 4.1 66.0 1.0 ND1 E:HIS214 4.1 32.5 1.0 ND1 E:HIS114 4.1 39.9 1.0 CG E:HIS214 4.2 31.3 1.0 CG E:HIS114 4.3 41.5 1.0 CB E:ASP116 4.5 41.7 1.0 CG E:PRO503 4.6 76.5 1.0 C4 E:AKG501 4.8 82.5 1.0 CA E:ASP116 4.9 40.9 1.0 CD E:PRO503 5.0 75.6 1.0

Iron binding site 6 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:42.3 occ:1.00 O2 F:AKG501 1.9 34.2 1.0 NE2 F:HIS114 2.0 29.9 1.0 C1 F:AKG501 2.2 59.9 1.0 OD1 F:ASP116 2.3 56.2 1.0 CE1 F:HIS114 2.7 34.0 1.0 NE2 F:HIS214 2.7 63.4 1.0 CE1 F:HIS214 2.8 68.9 1.0 O5 F:AKG501 2.8 47.2 1.0 C2 F:AKG501 2.9 61.1 1.0 O1 F:AKG501 2.9 53.7 1.0 CD2 F:HIS114 3.2 34.4 1.0 CG F:ASP116 3.2 46.2 1.0 OD2 F:ASP116 3.5 48.6 1.0 ND1 F:HIS214 3.7 70.7 1.0 CD2 F:HIS214 3.7 61.8 1.0 ND1 F:HIS114 3.9 31.4 1.0 CG F:HIS114 4.2 33.1 1.0 CG F:HIS214 4.3 59.8 1.0 C3 F:AKG501 4.3 69.1 1.0 CB F:ASP116 4.6 45.4 1.0 CG F:PRO503 4.8 72.6 1.0 CA F:ASP116 5.0 48.2 1.0

Iron binding site 7 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe502 b:41.0 occ:1.00 OD1 G:ASP116 2.1 45.5 1.0 NE2 G:HIS214 2.1 47.0 1.0 NE2 G:HIS114 2.1 51.2 1.0 O1 G:AKG501 2.2 57.0 1.0 C1 G:AKG501 2.2 68.0 1.0 O5 G:AKG501 2.2 52.6 1.0 C2 G:AKG501 2.6 72.2 1.0 CE1 G:HIS214 2.7 37.5 1.0 CE1 G:HIS114 2.8 44.6 1.0 O2 G:AKG501 2.9 52.8 1.0 CG G:ASP116 3.1 44.2 1.0 CD2 G:HIS114 3.2 45.7 1.0 OD2 G:ASP116 3.3 52.4 1.0 CD2 G:HIS214 3.3 45.1 1.0 ND1 G:HIS214 3.9 39.4 1.0 ND1 G:HIS114 4.0 43.5 1.0 C3 G:AKG501 4.1 80.2 1.0 CG G:HIS114 4.2 45.3 1.0 CG G:HIS214 4.3 42.1 1.0 CB G:ASP116 4.5 41.5 1.0 CG G:PRO503 4.5 78.3 1.0 CD G:PRO503 4.8 78.1 1.0 C4 G:AKG501 4.9 94.2 1.0 CA G:ASP116 4.9 40.1 1.0

Iron binding site 8 out of 8 in the Proline Hydroxylase H11-N101I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Proline Hydroxylase H11-N101I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe502 b:51.1 occ:1.00 NE2 H:HIS214 2.1 50.2 1.0 O H:HOH601 2.1 53.5 1.0 OD1 H:ASP116 2.2 67.0 1.0 O1 H:AKG501 2.3 68.2 1.0 C1 H:AKG501 2.6 78.7 1.0 NE2 H:HIS114 2.6 80.0 1.0 O5 H:AKG501 2.7 61.9 1.0 CE1 H:HIS214 3.0 54.4 1.0 C2 H:AKG501 3.0 77.2 1.0 CG H:ASP116 3.1 69.2 1.0 CD2 H:HIS214 3.2 51.4 1.0 O2 H:AKG501 3.2 70.1 1.0 CD2 H:HIS114 3.3 78.2 1.0 CE1 H:HIS114 3.3 88.8 1.0 OD2 H:ASP116 3.3 70.2 1.0 ND1 H:HIS214 4.1 46.0 1.0 ND1 H:HIS114 4.2 85.2 1.0 CG H:HIS114 4.2 78.5 1.0 CG H:HIS214 4.3 48.1 1.0 CG H:PRO503 4.4 74.2 1.0 CB H:ASP116 4.5 74.7 1.0 C3 H:AKG501 4.5 82.5 1.0 CA H:ASP116 4.9 73.2 1.0

W.G.Gong, L.Y.Yang. Trans-3/4-Proline-Hydroxylase H11 with Akg and L-Proline To Be Published.