Iron in PDB 6qph: Dunaliella Minimal Psi Complex

All present enzymatic activity of Dunaliella Minimal Psi Complex:
1.97.1.12;

The structure of Dunaliella Minimal Psi Complex, PDB code: 6qph was solved by D.Klaiman, I.Caspy, N.Nelson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.95 / 3.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	158.881, 100.506, 191.040, 90.00, 91.73, 90.00
R / Rfree (%)	33.7 / 35.6

The structure of Dunaliella Minimal Psi Complex also contains other interesting chemical elements:

Magnesium	(Mg)	143 atoms
Arsenic	(As)	6 atoms
Calcium	(Ca)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Dunaliella Minimal Psi Complex (pdb code 6qph). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Dunaliella Minimal Psi Complex, PDB code: 6qph:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:0.3 occ:1.00 FE1 A:SF43001 0.0 0.3 1.0 SG A:CYS575 2.3 0.7 1.0 S4 A:SF43001 2.3 0.0 1.0 S3 A:SF43001 2.3 0.2 1.0 S2 A:SF43001 2.3 0.4 1.0 FE2 A:SF43001 2.7 0.5 1.0 FE4 A:SF43001 2.8 0.6 1.0 FE3 A:SF43001 2.8 0.4 1.0 CB A:CYS575 3.4 0.3 1.0 O A:THR583 3.9 0.1 1.0 S1 A:SF43001 3.9 0.3 1.0 CB B:PRO563 4.4 0.8 1.0 SG A:CYS584 4.6 0.7 1.0 CD B:PRO563 4.7 0.2 1.0 SG B:CYS569 4.7 0.7 1.0 CA A:CYS575 4.7 0.0 1.0 N B:PRO563 4.8 0.3 1.0 SG B:CYS560 4.8 0.3 1.0 CA B:PRO563 4.8 0.4 1.0 CG B:PRO563 4.8 0.5 1.0

Iron binding site 2 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:0.5 occ:1.00 FE2 A:SF43001 0.0 0.5 1.0 SG B:CYS560 2.3 0.3 1.0 S4 A:SF43001 2.3 0.0 1.0 S3 A:SF43001 2.3 0.2 1.0 S1 A:SF43001 2.3 0.3 1.0 FE1 A:SF43001 2.7 0.3 1.0 FE4 A:SF43001 2.8 0.6 1.0 FE3 A:SF43001 2.8 0.4 1.0 CB B:CYS560 3.4 0.3 1.0 S2 A:SF43001 3.9 0.4 1.0 O B:THR568 4.2 0.8 1.0 SG B:CYS569 4.6 0.7 1.0 CB A:PRO578 4.7 0.3 1.0 CD1 B:ILE703 4.8 0.7 1.0 SG A:CYS584 4.8 0.7 1.0 CA B:CYS560 4.8 0.5 1.0 CD A:PRO578 4.8 0.9 1.0 SG A:CYS575 4.9 0.7 1.0

Iron binding site 3 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:0.4 occ:1.00 FE3 A:SF43001 0.0 0.4 1.0 SG B:CYS569 2.2 0.7 1.0 S1 A:SF43001 2.3 0.3 1.0 S2 A:SF43001 2.3 0.4 1.0 S4 A:SF43001 2.3 0.0 1.0 FE4 A:SF43001 2.8 0.6 1.0 FE2 A:SF43001 2.8 0.5 1.0 FE1 A:SF43001 2.8 0.3 1.0 CB B:CYS569 3.6 0.3 1.0 S3 A:SF43001 3.9 0.2 1.0 CA B:CYS569 4.2 0.2 1.0 O B:THR568 4.3 0.8 1.0 CD1 A:ILE720 4.4 0.7 1.0 CZ3 B:TRP668 4.5 0.9 1.0 SG B:CYS560 4.6 0.3 1.0 SG A:CYS575 4.7 0.7 1.0 N B:CYS569 4.8 0.6 1.0 C B:THR568 4.8 0.4 1.0 SG A:CYS584 4.9 0.7 1.0

Iron binding site 4 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:0.6 occ:1.00 FE4 A:SF43001 0.0 0.6 1.0 SG A:CYS584 2.3 0.7 1.0 S3 A:SF43001 2.3 0.2 1.0 S2 A:SF43001 2.3 0.4 1.0 S1 A:SF43001 2.3 0.3 1.0 FE1 A:SF43001 2.8 0.3 1.0 FE2 A:SF43001 2.8 0.5 1.0 FE3 A:SF43001 2.8 0.4 1.0 O A:THR583 3.7 0.1 1.0 CB A:CYS584 3.7 0.6 1.0 S4 A:SF43001 3.9 0.0 1.0 CD1 B:ILE703 4.1 0.7 1.0 CA A:CYS584 4.3 0.7 1.0 CE3 B:TRP668 4.4 0.6 1.0 C A:THR583 4.5 0.4 1.0 SG A:CYS575 4.6 0.7 1.0 CZ3 B:TRP668 4.6 0.9 1.0 CB A:CYS575 4.7 0.3 1.0 N A:CYS584 4.8 0.4 1.0 SG B:CYS560 4.8 0.3 1.0 SG B:CYS569 4.9 0.7 1.0

Iron binding site 5 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3002 b:0.1 occ:1.00 FE1 C:SF43002 0.0 0.1 1.0 SG C:CYS21 2.3 1.0 1.0 S4 C:SF43002 2.3 0.1 1.0 S3 C:SF43002 2.3 0.9 1.0 S2 C:SF43002 2.3 0.0 1.0 FE3 C:SF43002 2.7 0.6 1.0 FE2 C:SF43002 2.7 0.2 1.0 FE4 C:SF43002 2.8 0.2 1.0 CB C:CYS21 3.6 0.9 1.0 S1 C:SF43002 3.9 1.0 1.0 CG2 C:VAL25 4.0 0.1 1.0 CD C:PRO22 4.2 0.2 1.0 CA C:CYS21 4.2 0.1 1.0 CB C:VAL25 4.3 0.6 1.0 N C:PRO22 4.6 0.9 1.0 SG C:CYS51 4.6 0.1 1.0 SG C:CYS54 4.7 0.7 1.0 N C:LEU23 4.7 0.7 1.0 CB C:CYS54 4.7 0.1 1.0 C C:CYS21 4.7 1.0 1.0 SG C:CYS48 4.8 0.8 1.0 CB C:LEU23 4.8 1.0 1.0

Iron binding site 6 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3002 b:0.2 occ:1.00 FE2 C:SF43002 0.0 0.2 1.0 SG C:CYS54 2.3 0.7 1.0 S4 C:SF43002 2.3 0.1 1.0 S3 C:SF43002 2.3 0.9 1.0 S1 C:SF43002 2.3 1.0 1.0 FE1 C:SF43002 2.7 0.1 1.0 FE4 C:SF43002 2.7 0.2 1.0 FE3 C:SF43002 2.7 0.6 1.0 CB C:CYS54 3.2 0.1 1.0 N C:CYS54 3.8 0.8 1.0 S2 C:SF43002 3.9 0.0 1.0 CA C:CYS54 4.1 0.7 1.0 CG2 C:VAL67 4.4 0.9 1.0 N C:ARG53 4.6 0.3 1.0 SG C:CYS21 4.6 1.0 1.0 N C:LYS52 4.7 0.7 1.0 SG C:CYS51 4.8 0.1 1.0 SG C:CYS48 4.8 0.8 1.0 CA C:LYS52 4.8 0.0 1.0 C C:ARG53 5.0 0.2 1.0

Iron binding site 7 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3002 b:0.6 occ:1.00 FE3 C:SF43002 0.0 0.6 1.0 SG C:CYS51 2.3 0.1 1.0 S2 C:SF43002 2.3 0.0 1.0 S1 C:SF43002 2.3 1.0 1.0 S4 C:SF43002 2.3 0.1 1.0 FE1 C:SF43002 2.7 0.1 1.0 FE4 C:SF43002 2.7 0.2 1.0 FE2 C:SF43002 2.7 0.2 1.0 N C:CYS51 3.5 0.1 1.0 CB C:CYS51 3.7 0.4 1.0 N C:LYS52 3.8 0.7 1.0 S3 C:SF43002 3.9 0.9 1.0 CA C:CYS51 4.0 0.0 1.0 N C:ARG53 4.0 0.3 1.0 C C:CYS51 4.2 0.1 1.0 CD C:PRO22 4.2 0.2 1.0 C C:GLY50 4.5 0.6 1.0 N C:GLY50 4.5 0.1 1.0 CG C:PRO22 4.6 0.1 1.0 CA C:LYS52 4.6 0.0 1.0 CB C:ARG53 4.6 0.1 1.0 N C:CYS54 4.7 0.8 1.0 SG C:CYS21 4.7 1.0 1.0 CG1 C:VAL49 4.7 0.5 1.0 CA C:GLY50 4.8 0.9 1.0 SG C:CYS54 4.8 0.7 1.0 SG C:CYS48 4.8 0.8 1.0 CA C:ARG53 4.8 0.3 1.0 C C:LYS52 4.9 0.8 1.0

Iron binding site 8 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3002 b:0.2 occ:1.00 FE4 C:SF43002 0.0 0.2 1.0 SG C:CYS48 2.3 0.8 1.0 S1 C:SF43002 2.3 1.0 1.0 S3 C:SF43002 2.3 0.9 1.0 S2 C:SF43002 2.3 0.0 1.0 FE3 C:SF43002 2.7 0.6 1.0 FE2 C:SF43002 2.7 0.2 1.0 FE1 C:SF43002 2.8 0.1 1.0 CB C:CYS48 3.7 0.7 1.0 S4 C:SF43002 3.9 0.1 1.0 N C:GLY50 4.0 0.1 1.0 CA C:CYS48 4.2 0.0 1.0 N C:VAL49 4.3 0.4 1.0 CA C:GLY50 4.4 0.9 1.0 C C:CYS48 4.6 0.3 1.0 CG2 C:VAL25 4.6 0.1 1.0 N C:CYS51 4.7 0.1 1.0 SG C:CYS51 4.9 0.1 1.0 SG C:CYS54 4.9 0.7 1.0 SG C:CYS21 4.9 1.0 1.0 CB C:VAL25 4.9 0.6 1.0 C C:GLY50 5.0 0.6 1.0 CG2 C:VAL67 5.0 0.9 1.0

Iron binding site 9 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3003 b:0.5 occ:1.00 FE1 C:SF43003 0.0 0.5 1.0 SG C:CYS14 2.3 0.4 1.0 S2 C:SF43003 2.3 0.6 1.0 S4 C:SF43003 2.3 0.3 1.0 S3 C:SF43003 2.3 0.2 1.0 FE3 C:SF43003 2.7 1.0 1.0 FE2 C:SF43003 2.8 0.9 1.0 FE4 C:SF43003 2.8 0.7 1.0 N C:CYS14 3.7 0.8 1.0 CB C:CYS14 3.7 0.9 1.0 S1 C:SF43003 3.9 0.1 1.0 CD C:PRO59 4.1 0.0 1.0 CA C:CYS14 4.1 0.8 1.0 N C:THR15 4.3 0.5 1.0 SG C:CYS17 4.5 0.2 1.0 C C:CYS14 4.5 0.4 1.0 N C:GLN16 4.6 0.8 1.0 SG C:CYS58 4.6 0.3 1.0 N C:CYS17 4.7 0.9 1.0 N C:GLY13 4.7 0.1 1.0 C C:GLY13 4.7 1.0 1.0 CA C:CYS58 4.8 0.3 1.0 SG C:CYS11 4.8 0.4 1.0 CG C:PRO59 4.8 0.3 1.0 CA C:GLY13 4.9 0.9 1.0 CB C:CYS17 4.9 0.1 1.0 CG1 C:ILE12 5.0 0.3 1.0

Iron binding site 10 out of 12 in the Dunaliella Minimal Psi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Dunaliella Minimal Psi Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe3003 b:0.9 occ:1.00 FE2 C:SF43003 0.0 0.9 1.0 SG C:CYS11 2.3 0.4 1.0 S4 C:SF43003 2.3 0.3 1.0 S1 C:SF43003 2.3 0.1 1.0 S3 C:SF43003 2.3 0.2 1.0 FE3 C:SF43003 2.7 1.0 1.0 FE1 C:SF43003 2.8 0.5 1.0 FE4 C:SF43003 2.8 0.7 1.0 CB C:CYS11 3.6 0.9 1.0 S2 C:SF43003 3.9 0.6 1.0 N C:GLY13 4.0 0.1 1.0 OG C:SER64 4.1 0.5 1.0 CA C:CYS11 4.1 0.2 1.0 N C:ILE12 4.2 0.2 1.0 CB C:SER64 4.3 0.4 1.0 CA C:GLY13 4.5 0.9 1.0 OG1 C:THR60 4.6 0.9 1.0 C C:CYS11 4.7 0.6 1.0 N C:CYS14 4.8 0.8 1.0 SG C:CYS58 4.8 0.3 1.0 SG C:CYS14 4.9 0.4 1.0 CB C:ALA40 4.9 0.5 1.0 SG C:CYS17 4.9 0.2 1.0

A.Perez Boerema, D.Klaiman, I.Caspy, S.Netzer-El, A.Amunts, N.Nelson. Structure of A Minimal Photosystem I From A Green Alga To Be Published.