Iron in PDB 6b11: Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl)

All present enzymatic activity of Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl):
1.14.13.186;

The structure of Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl), PDB code: 6b11 was solved by M.D.Demars, D.H.Sherman, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.47 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.730, 109.240, 150.060, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24

The binding sites of Iron atom in the Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl) (pdb code 6b11). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl), PDB code: 6b11:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:32.5 occ:1.00 FE A:HEM501 0.0 32.5 1.0 ND A:HEM501 1.9 32.5 1.0 NA A:HEM501 1.9 30.8 1.0 NB A:HEM501 2.0 35.2 1.0 NC A:HEM501 2.0 30.5 1.0 SG A:CYS369 2.5 34.6 1.0 C4D A:HEM501 2.9 31.9 1.0 C1D A:HEM501 3.0 33.8 1.0 C1A A:HEM501 3.0 30.1 1.0 C4B A:HEM501 3.0 32.9 1.0 C1B A:HEM501 3.0 33.1 1.0 C4A A:HEM501 3.0 28.8 1.0 C1C A:HEM501 3.1 31.5 1.0 C4C A:HEM501 3.1 35.7 1.0 CHA A:HEM501 3.3 31.1 1.0 CHC A:HEM501 3.4 32.1 1.0 CB A:CYS369 3.4 33.3 1.0 CHB A:HEM501 3.5 33.6 1.0 CHD A:HEM501 3.5 33.5 1.0 C1 A:CGM502 3.8 43.1 0.5 C1 A:CGM502 3.9 37.0 0.5 CA A:CYS369 4.0 32.2 1.0 C3D A:HEM501 4.2 29.3 1.0 C2B A:HEM501 4.2 30.0 1.0 C2A A:HEM501 4.2 29.5 1.0 C3A A:HEM501 4.2 27.5 1.0 C2D A:HEM501 4.2 31.8 1.0 C3B A:HEM501 4.2 31.3 1.0 C3C A:HEM501 4.3 38.5 1.0 C2C A:HEM501 4.3 35.0 1.0 N A:GLY371 4.7 37.2 1.0 C A:CYS369 4.7 34.9 1.0 N A:LEU370 4.8 35.1 1.0

Iron binding site 2 out of 2 in the Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl- Tylonolide (23-Dmtl) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:39.6 occ:1.00 FE B:HEM501 0.0 39.6 1.0 ND B:HEM501 1.9 34.9 1.0 NA B:HEM501 2.0 39.5 1.0 NC B:HEM501 2.0 33.0 1.0 NB B:HEM501 2.0 36.5 1.0 SG B:CYS369 2.5 42.2 1.0 C4D B:HEM501 2.9 40.5 1.0 C1D B:HEM501 2.9 40.5 1.0 C4B B:HEM501 3.0 36.8 1.0 C1A B:HEM501 3.0 40.7 1.0 C4C B:HEM501 3.0 35.6 1.0 C1C B:HEM501 3.0 33.3 1.0 C4A B:HEM501 3.1 39.4 1.0 C1B B:HEM501 3.1 38.5 1.0 CB B:CYS369 3.3 43.0 1.0 CHC B:HEM501 3.4 37.3 1.0 CHA B:HEM501 3.4 44.0 1.0 CHD B:HEM501 3.4 35.4 1.0 CHB B:HEM501 3.5 41.5 1.0 C1 B:CGM502 3.8 52.3 1.0 CA B:CYS369 4.1 45.1 1.0 C2D B:HEM501 4.2 37.9 1.0 C3D B:HEM501 4.2 38.3 1.0 C3C B:HEM501 4.2 35.0 1.0 C2A B:HEM501 4.2 39.0 1.0 C2C B:HEM501 4.2 34.2 1.0 C3B B:HEM501 4.2 33.3 1.0 C3A B:HEM501 4.2 38.9 1.0 C2B B:HEM501 4.3 35.9 1.0 N B:GLY371 4.7 44.7 1.0 C B:CYS369 4.8 46.9 1.0 CB B:ALA259 4.8 40.7 1.0 CG2 B:THR263 4.9 41.7 1.0 N B:LEU370 4.9 43.0 1.0

M.D.Demars, D.H.Sherman, L.M.Podust. Tylhi in Complex with Native Substrate 23-Deoxy-5-O-Mycaminosyl-Tylonolide (23-Dmtl) To Be Published.