Iron in PDB 6n1y: Structure of L509V CAO1 - Growth Condition 1

The structure of Structure of L509V CAO1 - Growth Condition 1, PDB code: 6n1y was solved by N.Khadka, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 2.15
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.210, 101.210, 450.180, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 21.8

The structure of Structure of L509V CAO1 - Growth Condition 1 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the Structure of L509V CAO1 - Growth Condition 1 (pdb code 6n1y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of L509V CAO1 - Growth Condition 1, PDB code: 6n1y:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:41.9 occ:1.00 NE2 A:HIS313 2.1 44.6 1.0 NE2 A:HIS248 2.1 48.2 1.0 NE2 A:HIS197 2.1 39.3 1.0 NE2 A:HIS510 2.2 45.7 1.0 CE1 A:HIS248 3.0 46.2 1.0 CE1 A:HIS197 3.0 39.6 1.0 CD2 A:HIS313 3.0 40.6 1.0 CD2 A:HIS510 3.0 44.6 1.0 CE1 A:HIS313 3.1 43.7 1.0 CD2 A:HIS248 3.1 46.1 1.0 CE1 A:HIS510 3.2 45.1 1.0 CD2 A:HIS197 3.2 39.2 1.0 ND1 A:HIS248 4.1 45.5 1.0 ND1 A:HIS313 4.2 43.2 1.0 CG A:HIS313 4.2 43.2 1.0 ND1 A:HIS197 4.2 37.4 1.0 CG A:HIS510 4.2 44.8 1.0 ND1 A:HIS510 4.2 44.8 1.0 CG A:HIS248 4.2 47.3 1.0 CG A:HIS197 4.3 38.5 1.0 CG2 A:THR151 4.3 46.0 1.0 CG1 A:VAL509 4.7 41.4 1.0

Iron binding site 2 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:42.3 occ:1.00 NE2 B:HIS510 2.1 50.5 1.0 NE2 B:HIS248 2.1 47.2 1.0 NE2 B:HIS313 2.1 41.6 1.0 NE2 B:HIS197 2.2 36.0 1.0 CD2 B:HIS510 3.0 46.9 1.0 CE1 B:HIS248 3.0 48.4 1.0 CE1 B:HIS197 3.1 37.6 1.0 CE1 B:HIS313 3.1 40.9 1.0 CD2 B:HIS313 3.1 39.1 1.0 CE1 B:HIS510 3.1 49.5 1.0 CD2 B:HIS248 3.2 45.9 1.0 CD2 B:HIS197 3.3 38.1 1.0 CG B:HIS510 4.1 48.0 1.0 ND1 B:HIS248 4.1 50.2 1.0 ND1 B:HIS510 4.2 47.4 1.0 ND1 B:HIS313 4.2 39.0 1.0 ND1 B:HIS197 4.2 37.3 1.0 CG B:HIS313 4.2 40.2 1.0 CG B:HIS248 4.3 48.7 1.0 CG2 B:THR151 4.3 46.9 1.0 CG B:HIS197 4.4 35.2 1.0 CG1 B:VAL509 4.6 50.9 1.0

Iron binding site 3 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:49.3 occ:1.00 NE2 C:HIS248 2.0 47.7 1.0 NE2 C:HIS313 2.1 50.0 1.0 NE2 C:HIS197 2.1 47.3 1.0 NE2 C:HIS510 2.2 53.5 1.0 CE1 C:HIS248 2.9 46.8 1.0 CD2 C:HIS510 3.0 47.7 1.0 CE1 C:HIS197 3.0 50.1 1.0 CD2 C:HIS313 3.1 48.1 1.0 CE1 C:HIS313 3.1 48.7 1.0 CD2 C:HIS248 3.1 42.3 1.0 CD2 C:HIS197 3.2 48.1 1.0 CE1 C:HIS510 3.2 49.9 1.0 ND1 C:HIS248 4.1 46.3 1.0 ND1 C:HIS313 4.2 49.9 1.0 ND1 C:HIS197 4.2 47.4 1.0 CG C:HIS313 4.2 48.9 1.0 CG C:HIS510 4.2 49.9 1.0 CG C:HIS248 4.2 47.3 1.0 ND1 C:HIS510 4.2 48.2 1.0 CG2 C:THR151 4.3 50.8 1.0 CG C:HIS197 4.3 46.5 1.0 CG1 C:VAL509 4.7 48.4 1.0

Iron binding site 4 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:50.6 occ:1.00 NE2 D:HIS248 2.0 56.5 1.0 NE2 D:HIS313 2.1 48.9 1.0 NE2 D:HIS510 2.1 56.2 1.0 NE2 D:HIS197 2.2 47.8 1.0 CE1 D:HIS248 2.9 56.5 1.0 CD2 D:HIS510 3.0 56.7 1.0 CE1 D:HIS197 3.1 48.3 1.0 CD2 D:HIS313 3.1 47.9 1.0 CE1 D:HIS313 3.1 47.6 1.0 CD2 D:HIS248 3.1 54.1 1.0 CE1 D:HIS510 3.2 55.1 1.0 CD2 D:HIS197 3.2 49.6 1.0 ND1 D:HIS248 4.1 52.6 1.0 CG D:HIS510 4.2 55.9 1.0 ND1 D:HIS313 4.2 48.4 1.0 ND1 D:HIS510 4.2 54.8 1.0 CG D:HIS248 4.2 54.1 1.0 ND1 D:HIS197 4.2 48.5 1.0 CG D:HIS313 4.2 51.1 1.0 CG2 D:THR151 4.3 46.9 1.0 CG D:HIS197 4.3 48.3 1.0 CG1 D:VAL509 4.7 50.2 1.0

N.Khadka, E.R.Farquhar, H.E.Hill, W.Shi, J.Von Lintig, P.D.Kiser. Evidence For Distinct Rate-Limiting Steps in the Cleavage of Alkenes By Carotenoid Cleavage Dioxygenases. J.Biol.Chem. V. 294 10596 2019.
ISSN: ESSN 1083-351X
PubMed: 31138651
DOI: 10.1074/JBC.RA119.007535