Iron in PDB 6n20: Structure of L509V CAO1 - Growth Condition 2

The structure of Structure of L509V CAO1 - Growth Condition 2, PDB code: 6n20 was solved by N.Khadka, W.Shi, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.47 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.550, 99.550, 447.490, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 20.5

The structure of Structure of L509V CAO1 - Growth Condition 2 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the Structure of L509V CAO1 - Growth Condition 2 (pdb code 6n20). 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 2, PDB code: 6n20:
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 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:37.4 occ:1.00 NE2 D:HIS313 2.1 38.3 1.0 NE2 D:HIS248 2.1 35.7 1.0 NE2 D:HIS197 2.2 36.0 1.0 NE2 D:HIS510 2.2 34.3 1.0 CE1 D:HIS197 3.1 38.1 1.0 CE1 D:HIS313 3.1 38.0 1.0 CD2 D:HIS510 3.1 34.4 1.0 CD2 D:HIS313 3.1 38.0 1.0 CE1 D:HIS248 3.1 36.4 1.0 CD2 D:HIS248 3.1 37.5 1.0 CE1 D:HIS510 3.2 35.6 1.0 CD2 D:HIS197 3.3 37.0 1.0 ND1 D:HIS313 4.2 38.1 1.0 CG D:HIS510 4.2 35.2 1.0 CG D:HIS313 4.2 37.4 1.0 ND1 D:HIS248 4.2 38.2 1.0 ND1 D:HIS197 4.2 37.0 1.0 ND1 D:HIS510 4.2 33.9 1.0 CG D:HIS248 4.3 38.2 1.0 CG D:HIS197 4.4 36.6 1.0 CG2 D:THR151 4.5 42.1 1.0 CG1 D:VAL509 4.8 44.2 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:39.6 occ:1.00 NE2 A:HIS313 2.1 40.0 1.0 NE2 A:HIS248 2.1 38.5 1.0 NE2 A:HIS197 2.1 38.5 1.0 NE2 A:HIS510 2.2 38.6 1.0 CE1 A:HIS197 3.0 39.6 1.0 CD2 A:HIS313 3.1 40.8 1.0 CD2 A:HIS510 3.1 38.8 1.0 CE1 A:HIS248 3.1 38.7 1.0 CE1 A:HIS313 3.1 40.1 1.0 CD2 A:HIS248 3.1 38.6 1.0 CE1 A:HIS510 3.2 38.9 1.0 CD2 A:HIS197 3.2 39.0 1.0 ND1 A:HIS197 4.2 39.2 1.0 ND1 A:HIS313 4.2 41.0 1.0 CG A:HIS510 4.2 38.4 1.0 CG A:HIS313 4.2 41.0 1.0 ND1 A:HIS248 4.2 39.9 1.0 ND1 A:HIS510 4.2 38.5 1.0 CG A:HIS248 4.3 39.0 1.0 CG A:HIS197 4.3 40.0 1.0 CG2 A:THR151 4.4 42.0 1.0 CG1 A:VAL509 4.8 42.0 1.0

Iron binding site 3 out of 4 in the Structure of L509V CAO1 - Growth Condition 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:38.7 occ:1.00 NE2 C:HIS313 2.1 40.3 1.0 NE2 C:HIS248 2.1 38.2 1.0 NE2 C:HIS197 2.2 37.7 1.0 NE2 C:HIS510 2.2 33.7 1.0 CE1 C:HIS197 3.1 39.1 1.0 CD2 C:HIS510 3.1 34.8 1.0 CE1 C:HIS313 3.1 40.6 1.0 CE1 C:HIS248 3.1 38.8 1.0 CD2 C:HIS313 3.1 39.8 1.0 CD2 C:HIS248 3.2 39.0 1.0 CE1 C:HIS510 3.2 37.3 1.0 CD2 C:HIS197 3.3 39.0 1.0 ND1 C:HIS313 4.2 41.5 1.0 ND1 C:HIS248 4.2 39.4 1.0 CG C:HIS510 4.2 35.7 1.0 ND1 C:HIS197 4.2 37.3 1.0 CG C:HIS313 4.2 39.8 1.0 CG C:HIS248 4.3 39.3 1.0 ND1 C:HIS510 4.3 35.3 1.0 CG2 C:THR151 4.4 43.3 1.0 CG C:HIS197 4.4 38.0 1.0 CG1 C:VAL509 4.8 41.5 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:41.4 occ:1.00 NE2 B:HIS313 2.1 41.0 1.0 NE2 B:HIS248 2.1 37.9 1.0 NE2 B:HIS197 2.2 40.6 1.0 NE2 B:HIS510 2.2 36.4 1.0 CE1 B:HIS313 3.0 43.0 1.0 CD2 B:HIS313 3.1 42.6 1.0 CE1 B:HIS248 3.1 39.2 1.0 CD2 B:HIS510 3.1 37.2 1.0 CE1 B:HIS197 3.1 39.6 1.0 CD2 B:HIS248 3.1 39.6 1.0 CE1 B:HIS510 3.2 38.0 1.0 CD2 B:HIS197 3.3 39.6 1.0 ND1 B:HIS313 4.2 43.5 1.0 CG B:HIS313 4.2 42.7 1.0 ND1 B:HIS248 4.2 40.4 1.0 CG B:HIS510 4.3 37.6 1.0 ND1 B:HIS197 4.3 38.8 1.0 CG B:HIS248 4.3 40.4 1.0 ND1 B:HIS510 4.3 37.1 1.0 CG2 B:THR151 4.4 40.7 1.0 CG B:HIS197 4.4 40.0 1.0 CG1 B:VAL509 4.7 41.5 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