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

Enzymatic activity of 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;

Protein crystallography data

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

Iron Binding Sites:

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 6b11

Go back to Iron Binding Sites List in 6b11
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 6b11

Go back to Iron Binding Sites List in 6b11
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

Reference:

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.
Page generated: Sun Dec 13 16:21:01 2020

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