Iron in PDB 1k0t: uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb

The binding sites of Iron atom in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb (pdb code 1k0t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb, PDB code: 1k0t:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:0.7 occ:1.00 FE1 A:SF481 0.0 0.7 1.0 SG A:CYS10 2.2 0.6 1.0 S3 A:SF481 2.2 0.6 1.0 S2 A:SF481 2.4 0.7 1.0 S4 A:SF481 2.4 0.6 1.0 FE2 A:SF481 2.6 0.5 1.0 HA A:CYS10 2.7 0.5 1.0 FE3 A:SF481 2.8 0.6 1.0 H A:ILE11 2.9 0.8 1.0 FE4 A:SF481 3.2 0.5 1.0 CB A:CYS10 3.2 0.5 1.0 CA A:CYS10 3.4 0.6 1.0 HB2 A:CYS10 3.5 0.5 1.0 H A:GLY12 3.5 1.3 1.0 H A:CYS13 3.5 1.2 1.0 H A:THR14 3.7 2.6 1.0 N A:ILE11 3.7 0.8 1.0 HG22 A:VAL17 4.1 1.8 1.0 HB1 A:ALA39 4.1 1.9 1.0 C A:CYS10 4.1 0.7 1.0 HG13 A:ILE11 4.1 1.8 1.0 HB3 A:CYS10 4.2 0.5 1.0 N A:GLY12 4.2 1.1 1.0 S1 A:SF481 4.3 0.5 1.0 O A:THR9 4.3 0.6 1.0 HA2 A:GLY12 4.4 1.6 1.0 N A:CYS13 4.5 1.3 1.0 HG23 A:VAL17 4.6 1.7 1.0 O A:GLN15 4.6 2.3 1.0 N A:CYS10 4.6 0.7 1.0 HB3 A:ALA39 4.6 1.4 1.0 N A:THR14 4.6 1.1 1.0 SG A:CYS13 4.8 0.8 1.0 H A:ALA39 4.8 0.6 1.0 CG2 A:VAL17 4.8 1.0 1.0 CA A:GLY12 4.8 1.4 1.0 SG A:CYS57 4.8 0.7 1.0 SG A:CYS16 4.8 0.6 1.0 CB A:ALA39 4.9 0.6 1.0 C A:THR9 4.9 0.7 1.0 CA A:ILE11 4.9 0.9 1.0 HA A:THR14 5.0 1.3 1.0 C A:ILE11 5.0 1.0 1.0

Iron binding site 2 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:0.5 occ:1.00 FE2 A:SF481 0.0 0.5 1.0 SG A:CYS13 2.2 0.8 1.0 S3 A:SF481 2.2 0.6 1.0 S4 A:SF481 2.2 0.6 1.0 S1 A:SF481 2.5 0.5 1.0 FE1 A:SF481 2.6 0.7 1.0 H A:CYS13 2.7 1.2 1.0 FE3 A:SF481 2.8 0.6 1.0 FE4 A:SF481 2.9 0.5 1.0 H A:THR14 2.9 2.6 1.0 HG2 A:GLN15 3.1 0.7 1.0 CB A:CYS13 3.2 1.2 1.0 HB3 A:CYS13 3.2 1.1 1.0 O A:GLN15 3.3 2.3 1.0 N A:THR14 3.4 1.1 1.0 N A:CYS13 3.5 1.3 1.0 H A:GLN15 3.6 1.7 1.0 CA A:CYS13 3.7 1.5 1.0 H A:GLY12 3.8 1.3 1.0 N A:GLN15 3.8 0.7 1.0 HG13 A:ILE11 3.9 1.8 1.0 S2 A:SF481 3.9 0.7 1.0 C A:CYS13 3.9 1.8 1.0 HA A:CYS57 4.0 1.2 1.0 H A:ILE11 4.0 0.8 1.0 CG A:GLN15 4.1 0.6 1.0 HB2 A:CYS13 4.2 1.6 1.0 C A:GLN15 4.2 0.9 1.0 C A:THR14 4.2 1.3 1.0 HA A:CYS10 4.3 0.5 1.0 CA A:THR14 4.3 1.1 1.0 CA A:GLN15 4.4 0.6 1.0 HB3 A:GLN15 4.4 0.7 1.0 HD11 A:ILE11 4.4 2.3 1.0 HB3 A:CYS16 4.4 0.7 1.0 HG22 A:VAL17 4.5 1.8 1.0 H A:CYS57 4.5 2.6 1.0 CB A:GLN15 4.5 0.6 1.0 SG A:CYS57 4.6 0.7 1.0 CD A:GLN15 4.6 0.7 1.0 HA A:THR14 4.6 1.3 1.0 N A:GLY12 4.7 1.1 1.0 SG A:CYS10 4.8 0.6 1.0 C A:GLY12 4.8 1.5 1.0 HA A:CYS13 4.8 1.8 1.0 SG A:CYS16 4.8 0.6 1.0 CG1 A:ILE11 4.8 0.7 1.0 HE21 A:GLN15 4.8 0.8 1.0 HG3 A:GLN15 4.9 0.8 1.0 HD3 A:PRO58 4.9 2.0 1.0 NE2 A:GLN15 4.9 0.7 1.0 O A:CYS13 4.9 3.9 1.0 O A:THR14 4.9 2.7 1.0 CA A:CYS57 4.9 1.0 1.0 N A:ILE11 5.0 0.8 1.0

Iron binding site 3 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:0.6 occ:1.00 FE3 A:SF481 0.0 0.6 1.0 SG A:CYS16 2.2 0.6 1.0 S2 A:SF481 2.2 0.7 1.0 S4 A:SF481 2.4 0.6 1.0 O A:GLN15 2.5 2.3 1.0 S1 A:SF481 2.7 0.5 1.0 FE4 A:SF481 2.7 0.5 1.0 HG22 A:VAL17 2.8 1.8 1.0 FE2 A:SF481 2.8 0.5 1.0 FE1 A:SF481 2.8 0.7 1.0 HB3 A:CYS16 2.9 0.7 1.0 CB A:CYS16 3.2 0.6 1.0 CG2 A:VAL17 3.7 1.0 1.0 HG2 A:GLN15 3.7 0.7 1.0 HG21 A:VAL17 3.7 1.8 1.0 C A:GLN15 3.7 0.9 1.0 H A:CYS57 3.7 2.6 1.0 H A:VAL17 3.8 0.8 1.0 HB1 A:ALA39 3.8 1.9 1.0 HB2 A:CYS16 3.9 0.7 1.0 S3 A:SF481 3.9 0.6 1.0 HG23 A:VAL17 4.0 1.7 1.0 CA A:CYS16 4.3 0.5 1.0 N A:VAL17 4.3 0.6 1.0 N A:CYS16 4.5 0.7 1.0 HA A:CYS57 4.5 1.2 1.0 HD23 A:LEU25 4.5 1.7 1.0 HA A:CYS10 4.5 0.5 1.0 SG A:CYS13 4.5 0.8 1.0 N A:CYS57 4.6 1.2 1.0 HA A:ALA56 4.6 1.0 1.0 H A:THR14 4.7 2.6 1.0 C A:CYS16 4.7 0.5 1.0 SG A:CYS10 4.7 0.6 1.0 O A:THR9 4.7 0.6 1.0 CG A:GLN15 4.7 0.6 1.0 N A:GLN15 4.8 0.7 1.0 CB A:ALA39 4.8 0.6 1.0 C A:THR14 4.8 1.3 1.0 CA A:GLN15 4.8 0.6 1.0 O A:THR14 4.9 2.7 1.0 SG A:CYS57 4.9 0.7 1.0 CB A:VAL17 4.9 0.7 1.0 HG3 A:GLN15 4.9 0.8 1.0

Iron binding site 4 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:0.5 occ:1.00 FE4 A:SF481 0.0 0.5 1.0 SG A:CYS57 2.2 0.7 1.0 S1 A:SF481 2.2 0.5 1.0 S2 A:SF481 2.5 0.7 1.0 HA A:CYS57 2.6 1.2 1.0 S3 A:SF481 2.7 0.6 1.0 FE3 A:SF481 2.7 0.6 1.0 FE2 A:SF481 2.9 0.5 1.0 CB A:CYS57 2.9 0.6 1.0 HA A:CYS10 3.1 0.5 1.0 HB2 A:CYS57 3.1 0.5 1.0 CA A:CYS57 3.1 1.0 1.0 H A:CYS57 3.2 2.6 1.0 FE1 A:SF481 3.2 0.7 1.0 O A:THR9 3.2 0.6 1.0 N A:CYS57 3.4 1.2 1.0 HG23 A:THR9 3.7 2.1 1.0 HD3 A:PRO58 3.9 2.0 1.0 HB3 A:CYS57 3.9 0.7 1.0 CA A:CYS10 4.1 0.6 1.0 S4 A:SF481 4.1 0.6 1.0 C A:THR9 4.2 0.7 1.0 HG2 A:GLN15 4.2 0.7 1.0 H A:ILE11 4.2 0.8 1.0 HB3 A:CYS16 4.4 0.7 1.0 HD2 A:PRO58 4.4 1.5 1.0 HG1 A:THR9 4.4 1.2 1.0 HG13 A:ILE11 4.4 1.8 1.0 HE21 A:GLN15 4.5 0.8 1.0 SG A:CYS13 4.5 0.8 1.0 O A:GLN15 4.5 2.3 1.0 SG A:CYS16 4.6 0.6 1.0 C A:ALA56 4.6 1.0 1.0 C A:CYS57 4.6 1.4 1.0 CD A:PRO58 4.6 1.6 1.0 N A:CYS10 4.6 0.7 1.0 OG1 A:THR9 4.8 1.1 1.0 HB2 A:CYS10 4.8 0.5 1.0 CG2 A:THR9 4.8 1.0 1.0 CB A:CYS10 4.8 0.5 1.0 HA A:ALA56 4.8 1.0 1.0 SG A:CYS10 4.9 0.6 1.0 N A:ILE11 4.9 0.8 1.0 NE2 A:GLN15 5.0 0.7 1.0

Iron binding site 5 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:0.7 occ:1.00 FE1 A:SF482 0.0 0.7 1.0 SG A:CYS47 2.2 0.9 1.0 S3 A:SF482 2.2 0.8 1.0 S4 A:SF482 2.3 0.8 1.0 S2 A:SF482 2.4 1.0 1.0 HG22 A:VAL24 2.5 3.0 1.0 FE2 A:SF482 2.7 0.7 1.0 FE3 A:SF482 2.8 0.8 1.0 FE4 A:SF482 2.9 0.8 1.0 HB2 A:CYS47 3.0 0.8 1.0 CB A:CYS47 3.2 0.8 1.0 H A:CYS50 3.4 1.1 1.0 CG2 A:VAL24 3.6 1.8 1.0 HD11 A:LEU22 3.8 2.3 1.0 HA A:CYS47 3.9 0.8 1.0 HG12 A:VAL24 3.9 2.3 1.0 S1 A:SF482 3.9 0.8 1.0 HA2 A:GLY49 3.9 1.6 1.0 H A:GLY49 4.0 1.3 1.0 HG23 A:VAL24 4.0 2.0 1.0 HB3 A:CYS47 4.0 0.8 1.0 CA A:CYS47 4.1 0.9 1.0 HG21 A:VAL24 4.1 2.4 1.0 HB A:VAL24 4.2 2.0 1.0 N A:CYS50 4.3 1.0 1.0 CB A:VAL24 4.4 1.4 1.0 N A:GLY49 4.5 1.2 1.0 CG1 A:VAL24 4.6 1.8 1.0 HB2 A:LEU22 4.6 1.3 1.0 CA A:GLY49 4.6 1.4 1.0 C A:CYS47 4.7 1.2 1.0 SG A:CYS20 4.7 0.6 1.0 SG A:CYS50 4.7 1.0 1.0 HB3 A:CYS50 4.7 0.9 1.0 HD13 A:LEU22 4.8 2.7 1.0 HG22 A:THR44 4.8 2.1 1.0 CD1 A:LEU22 4.8 1.7 1.0 H A:VAL48 4.8 1.4 1.0 HG13 A:VAL24 4.9 2.7 1.0 N A:VAL48 4.9 1.4 1.0 SG A:CYS53 4.9 1.0 1.0

Iron binding site 6 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:0.7 occ:1.00 FE2 A:SF482 0.0 0.7 1.0 SG A:CYS50 2.2 1.0 1.0 S4 A:SF482 2.2 0.8 1.0 S3 A:SF482 2.4 0.8 1.0 S1 A:SF482 2.4 0.8 1.0 FE3 A:SF482 2.6 0.8 1.0 FE1 A:SF482 2.7 0.7 1.0 FE4 A:SF482 2.8 0.8 1.0 H A:CYS50 2.9 1.1 1.0 CB A:CYS50 3.2 1.0 1.0 HD11 A:LEU22 3.2 2.3 1.0 HB3 A:CYS50 3.2 0.9 1.0 HD13 A:LEU22 3.4 2.7 1.0 N A:CYS50 3.6 1.0 1.0 HB3 A:ARG52 3.6 2.5 1.0 O A:CYS50 3.6 2.2 1.0 CA A:CYS50 3.7 1.0 1.0 CD1 A:LEU22 3.7 1.7 1.0 C A:CYS50 3.8 1.3 1.0 H A:CYS53 3.8 1.8 1.0 HB2 A:ARG52 3.8 2.4 1.0 S2 A:SF482 3.8 1.0 1.0 HD2 A:PRO21 3.9 0.9 1.0 HD12 A:LEU22 4.0 2.3 1.0 H A:ARG52 4.0 1.4 1.0 HA A:CYS20 4.1 0.8 1.0 HG22 A:VAL24 4.2 3.0 1.0 HB2 A:CYS50 4.2 1.2 1.0 CB A:ARG52 4.2 2.3 1.0 SG A:CYS20 4.5 0.6 1.0 N A:ARG52 4.5 1.3 1.0 SG A:CYS47 4.6 0.9 1.0 SG A:CYS53 4.6 1.0 1.0 HB2 A:LEU22 4.6 1.3 1.0 N A:LYS51 4.6 1.7 1.0 HA A:CYS50 4.7 1.1 1.0 N A:CYS53 4.8 1.1 1.0 C A:GLY49 4.8 1.3 1.0 HA2 A:GLY49 4.8 1.6 1.0 CD A:PRO21 4.9 1.0 1.0 CA A:ARG52 5.0 1.6 1.0 HA A:CYS47 5.0 0.8 1.0

Iron binding site 7 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:0.8 occ:1.00 FE3 A:SF482 0.0 0.8 1.0 SG A:CYS53 2.2 1.0 1.0 S2 A:SF482 2.2 1.0 1.0 S4 A:SF482 2.3 0.8 1.0 S1 A:SF482 2.3 0.8 1.0 FE2 A:SF482 2.6 0.7 1.0 FE1 A:SF482 2.8 0.7 1.0 FE4 A:SF482 2.8 0.8 1.0 H A:CYS53 2.9 1.8 1.0 HB3 A:CYS53 3.0 0.8 1.0 CB A:CYS53 3.2 0.6 1.0 N A:CYS53 3.8 1.1 1.0 H A:ARG52 3.9 1.4 1.0 O A:CYS50 3.9 2.2 1.0 S3 A:SF482 3.9 0.8 1.0 HD21 A:LEU68 4.0 2.4 1.0 HB2 A:CYS53 4.0 0.9 1.0 CA A:CYS53 4.1 0.8 1.0 HB3 A:ARG52 4.1 2.5 1.0 H A:CYS50 4.3 1.1 1.0 H A:GLU54 4.4 1.9 1.0 SG A:CYS50 4.4 1.0 1.0 HG22 A:VAL24 4.5 3.0 1.0 HG11 A:VAL4 4.5 2.6 1.0 HD13 A:LEU25 4.6 1.7 1.0 HD12 A:LEU25 4.6 2.0 1.0 HA A:CYS53 4.7 0.9 1.0 C A:CYS50 4.7 1.3 1.0 N A:ARG52 4.8 1.3 1.0 SG A:CYS47 4.8 0.9 1.0 HD22 A:LEU68 4.8 2.2 1.0 CD2 A:LEU68 4.8 2.0 1.0 HA2 A:GLY49 4.8 1.6 1.0 N A:CYS50 4.8 1.0 1.0 C A:ARG52 4.9 1.5 1.0 HB A:VAL24 4.9 2.0 1.0 CB A:ARG52 4.9 2.3 1.0 O A:ALA19 5.0 1.8 1.0 SG A:CYS20 5.0 0.6 1.0 HB2 A:CYS20 5.0 0.6 1.0

Iron binding site 8 out of 8 in the uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of uc(Nmr) Solution Structure of Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters Fa and Fb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe82 b:0.8 occ:1.00 FE4 A:SF482 0.0 0.8 1.0 SG A:CYS20 2.2 0.6 1.0 S1 A:SF482 2.2 0.8 1.0 S3 A:SF482 2.4 0.8 1.0 S2 A:SF482 2.4 1.0 1.0 HG22 A:VAL24 2.6 3.0 1.0 HB A:VAL24 2.8 2.0 1.0 FE2 A:SF482 2.8 0.7 1.0 FE3 A:SF482 2.8 0.8 1.0 FE1 A:SF482 2.9 0.7 1.0 HB2 A:CYS20 3.1 0.6 1.0 CB A:CYS20 3.2 0.6 1.0 HD13 A:LEU25 3.2 1.7 1.0 CG2 A:VAL24 3.2 1.8 1.0 HG21 A:VAL24 3.3 2.4 1.0 HA A:CYS20 3.4 0.8 1.0 CB A:VAL24 3.5 1.4 1.0 H A:VAL24 3.8 1.0 1.0 HB3 A:CYS53 3.8 0.8 1.0 CA A:CYS20 3.9 0.7 1.0 S4 A:SF482 4.0 0.8 1.0 HB2 A:LEU22 4.0 1.3 1.0 CD1 A:LEU25 4.1 0.9 1.0 HB3 A:CYS20 4.1 0.7 1.0 HD12 A:LEU25 4.1 2.0 1.0 H A:CYS53 4.1 1.8 1.0 HB3 A:ARG52 4.2 2.5 1.0 HD13 A:LEU22 4.2 2.7 1.0 O A:ALA19 4.2 1.8 1.0 HG23 A:VAL24 4.3 2.0 1.0 H A:LEU25 4.3 1.4 1.0 HD11 A:LEU25 4.4 1.8 1.0 HD11 A:LEU22 4.4 2.3 1.0 HD2 A:PRO21 4.4 0.9 1.0 H A:LEU22 4.4 1.2 1.0 HG12 A:VAL24 4.5 2.3 1.0 N A:VAL24 4.5 1.0 1.0 CG1 A:VAL24 4.5 1.8 1.0 HB2 A:CYS47 4.5 0.8 1.0 HG13 A:VAL24 4.6 2.7 1.0 CA A:VAL24 4.6 1.2 1.0 SG A:CYS53 4.6 1.0 1.0 CB A:CYS53 4.7 0.6 1.0 H A:ASP23 4.7 1.6 1.0 SG A:CYS50 4.7 1.0 1.0 CD1 A:LEU22 4.8 1.7 1.0 C A:CYS20 4.9 0.9 1.0 SG A:CYS47 4.9 0.9 1.0 N A:CYS20 5.0 0.9 1.0 N A:CYS53 5.0 1.1 1.0

M.L.Antonkine, G.Liu, D.Bentrop, D.A.Bryant, I.Bertini, C.Luchinat, J.H.Golbeck, D.Stehlik. Solution Structure of the Unbound, Oxidized Photosystem I Subunit Psac, Containing [4FE-4S] Clusters F(A) and F(B): A Conformational Change Occurs Upon Binding to Photosystem I. J.Biol.Inorg.Chem. V. 7 461 2002.
ISSN: ISSN 0949-8257
PubMed: 11941504
DOI: 10.1007/S00775-001-0321-3