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Iron in PDB 6jzu: The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado)

Enzymatic activity of The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado)

All present enzymatic activity of The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado):
1.2.1.80; 4.1.99.5;

Protein crystallography data

The structure of The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado), PDB code: 6jzu was solved by H.M.Zhang, M.Li, Y.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.43 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.377, 71.313, 137.137, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.4

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado) (pdb code 6jzu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado), PDB code: 6jzu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6jzu

Go back to Iron Binding Sites List in 6jzu
Iron binding site 1 out of 2 in the The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:46.1
occ:1.00
 OE2 B:GLU32 2.3 38.8 1.0
OE1 B:GLU32 2.3 16.3 1.0
OE2 B:GLU144 2.5 46.8 1.0
OE1 B:GLU60 2.5 50.2 1.0
OE2 B:GLU60 2.6 49.3 1.0
CD B:GLU32 2.6 29.5 1.0
OE1 B:GLU144 2.7 43.1 1.0
ND1 B:HIS63 2.7 45.4 1.0
CD B:GLU60 2.9 50.9 1.0
CD B:GLU144 2.9 52.0 1.0
FE B:FE2303 3.0 54.4 1.0
O1 B:PL3301 3.3 49.4 1.0
CE1 B:HIS63 3.5 51.2 1.0
CG B:HIS63 3.6 45.0 1.0
C2 B:PL3301 3.7 33.2 1.0
CB B:HIS63 3.9 51.0 1.0
C1 B:PL3301 4.1 53.1 1.0
CG B:GLU32 4.2 36.0 1.0
CG B:GLU60 4.3 57.6 1.0
CG B:GLU144 4.5 54.8 1.0
CE1 B:HIS147 4.5 58.8 1.0
ND1 B:HIS147 4.6 55.6 1.0
NE2 B:HIS63 4.6 58.6 1.0
CA B:GLU60 4.6 55.7 1.0
CD2 B:HIS63 4.7 54.0 1.0
CB B:GLU60 4.8 54.6 1.0
OE2 B:GLU115 4.9 44.4 1.0
O B:GLU60 5.0 42.8 1.0
CB B:GLU32 5.0 45.8 1.0
C3 B:PL3301 5.0 47.4 1.0

Iron binding site 2 out of 2 in 6jzu

Go back to Iron Binding Sites List in 6jzu
Iron binding site 2 out of 2 in the The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Acyl-Acyl Carrier Protein (Acyl-Acp) Reductase (Aar) in Complex with Aldehyde Deformylating Oxygenase (Ado) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe303

b:54.4
occ:1.00
 O1 B:PL3301 2.2 49.4 1.0
OE2 B:GLU115 2.5 44.4 1.0
OE1 B:GLU60 2.6 50.2 1.0
OE1 B:GLU144 2.7 43.1 1.0
OE2 B:GLU60 2.7 49.3 1.0
OE1 B:GLU115 2.7 48.4 1.0
CD B:GLU60 2.8 50.9 1.0
ND1 B:HIS147 2.8 55.6 1.0
CD B:GLU115 3.0 43.7 1.0
FE B:FE2302 3.0 46.1 1.0
CE1 B:HIS147 3.6 58.8 1.0
C1 B:PL3301 3.6 53.1 1.0
CD B:GLU144 3.7 52.0 1.0
CG B:HIS147 3.9 56.0 1.0
CG B:GLU60 4.0 57.6 1.0
OE2 B:GLU144 4.1 46.8 1.0
CB B:HIS147 4.2 53.4 1.0
C2 B:PL3301 4.2 33.2 1.0
CE2 B:TYR39 4.2 54.1 1.0
OH B:TYR39 4.4 44.0 1.0
OE2 B:GLU32 4.4 38.8 1.0
NE2 B:GLN110 4.5 38.7 1.0
CG B:GLU115 4.5 44.0 1.0
CB B:ALA35 4.5 43.5 1.0
CA B:GLU144 4.8 54.8 1.0
NE2 B:HIS147 4.8 65.7 1.0
CZ B:TYR39 4.8 51.2 1.0
CG B:GLU144 4.9 54.8 1.0
CB B:GLU144 4.9 49.6 1.0
CD2 B:HIS147 5.0 60.7 1.0

Reference:

Y.Gao, H.Zhang, M.Fan, C.Jia, L.Shi, X.Pan, P.Cao, X.Zhao, W.Chang, M.Li. Structural Insights Into Catalytic Mechanism and Product Delivery of Cyanobacterial Acyl-Acyl Carrier Protein Reductase Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-020-15268-Y
Page generated: Tue Aug 6 23:43:46 2024

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