Iron in PDB 6ttl: Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State

The structure of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State, PDB code: 6ttl was solved by J.Duan, A.Rutz, E.Hofmann, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.26 / 2.90
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	169.000, 169.000, 127.000, 90.00, 90.00, 90.00
R / Rfree (%)	33.9 / 35.3

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State (pdb code 6ttl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State, PDB code: 6ttl:
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 Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:59.8 occ:1.00 FE1 A:402700 0.0 59.8 1.0 C3 A:402700 1.7 60.0 1.0 C4 A:402700 1.8 59.6 1.0 C5 A:402700 1.9 60.1 1.0 S1 A:402700 2.3 62.3 1.0 S2 A:402700 2.3 63.1 1.0 SG A:CYS571 2.4 62.5 1.0 FE2 A:402700 2.5 63.1 1.0 O3 A:402700 3.0 59.3 1.0 N4 A:402700 3.0 58.8 1.0 O5 A:402700 3.1 58.8 1.0 CB A:CYS571 3.2 61.3 1.0 C2 A:402700 3.3 63.7 1.0 C1 A:402700 3.5 75.7 1.0 C7 A:402700 3.7 71.3 1.0 C6 A:402700 3.8 62.2 1.0 N1 A:402700 3.9 65.9 1.0 FE4 A:SF4701 4.0 65.6 0.9 S2 A:SF4701 4.4 61.5 0.9 O7 A:402700 4.7 61.7 1.0 CE A:LYS426 4.7 60.3 1.0 CA A:CYS571 4.7 61.1 1.0 N6 A:402700 4.8 61.1 1.0 CB A:ALA292 4.9 58.6 1.0 CG A:PRO422 4.9 59.0 1.0

Iron binding site 2 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:63.1 occ:1.00 FE2 A:402700 0.0 63.1 1.0 C7 A:402700 1.8 71.3 1.0 C6 A:402700 1.9 62.2 1.0 C5 A:402700 2.0 60.1 1.0 S2 A:402700 2.3 63.1 1.0 S1 A:402700 2.3 62.3 1.0 FE1 A:402700 2.5 59.8 1.0 O5 A:402700 2.8 58.8 1.0 O7 A:402700 2.9 61.7 1.0 N6 A:402700 3.1 61.1 1.0 SG A:CYS367 3.1 61.8 1.0 C2 A:402700 3.5 63.7 1.0 C1 A:402700 3.6 75.7 1.0 C4 A:402700 3.6 59.6 1.0 C3 A:402700 3.7 60.0 1.0 N1 A:402700 3.7 65.9 1.0 CB A:CYS367 4.1 62.3 1.0 CG A:PRO392 4.2 61.9 1.0 CD A:PRO392 4.3 62.4 1.0 CD2 A:PHE485 4.4 60.8 1.0 SG A:CYS571 4.5 62.5 1.0 NZ A:LYS426 4.5 61.0 1.0 N4 A:402700 4.6 58.8 1.0 CB A:PRO392 4.7 63.3 1.0 O3 A:402700 4.7 59.3 1.0 CE A:LYS426 4.8 60.3 1.0 CD A:PRO293 4.9 59.1 1.0 CB A:PHE485 5.0 59.7 1.0

Iron binding site 3 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:68.1 occ:0.89 FE1 A:SF4701 0.0 68.1 0.9 SG A:CYS423 2.2 61.9 1.0 S2 A:SF4701 2.3 61.5 0.9 S4 A:SF4701 2.3 62.1 0.9 S3 A:SF4701 2.3 58.9 0.9 FE4 A:SF4701 2.7 65.6 0.9 FE3 A:SF4701 2.7 68.9 0.9 FE2 A:SF4701 2.7 62.1 0.9 CB A:CYS423 3.1 62.4 1.0 S1 A:SF4701 3.9 63.4 0.9 CB A:ALA425 4.1 63.2 1.0 O3 A:402700 4.1 59.3 1.0 SG A:CYS567 4.5 63.0 1.0 CA A:CYS423 4.5 61.9 1.0 SG A:CYS368 4.7 63.5 1.0 C3 A:402700 4.7 60.0 1.0 SG A:CYS571 4.9 62.5 1.0 N A:CYS423 4.9 61.4 1.0

Iron binding site 4 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:62.1 occ:0.89 FE2 A:SF4701 0.0 62.1 0.9 SG A:CYS567 2.3 63.0 1.0 S3 A:SF4701 2.3 58.9 0.9 S1 A:SF4701 2.3 63.4 0.9 S4 A:SF4701 2.3 62.1 0.9 FE1 A:SF4701 2.7 68.1 0.9 FE4 A:SF4701 2.7 65.6 0.9 FE3 A:SF4701 2.8 68.9 0.9 CB A:CYS567 3.1 65.5 1.0 N A:CYS567 3.7 68.0 1.0 S2 A:SF4701 3.9 61.5 0.9 CA A:CYS567 4.1 68.2 1.0 O A:GLY570 4.2 62.3 1.0 CA A:CYS571 4.3 61.1 1.0 CA A:GLY574 4.3 62.8 1.0 CB A:CYS423 4.5 62.4 1.0 SG A:CYS423 4.6 61.9 1.0 N A:GLY574 4.7 62.7 1.0 CB A:ALA566 4.7 67.2 1.0 C A:GLY570 4.7 62.5 1.0 N A:CYS571 4.8 62.7 1.0 C A:ALA566 4.8 68.7 1.0 SG A:CYS571 4.9 62.5 1.0 SG A:CYS368 4.9 63.5 1.0 N A:ALA566 5.0 73.4 1.0

Iron binding site 5 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:68.9 occ:0.89 FE3 A:SF4701 0.0 68.9 0.9 S2 A:SF4701 2.3 61.5 0.9 S4 A:SF4701 2.3 62.1 0.9 S1 A:SF4701 2.3 63.4 0.9 SG A:CYS368 2.3 63.5 1.0 FE1 A:SF4701 2.7 68.1 0.9 FE4 A:SF4701 2.7 65.6 0.9 FE2 A:SF4701 2.8 62.1 0.9 CB A:CYS368 3.1 69.7 1.0 S3 A:SF4701 3.9 58.9 0.9 CA A:CYS368 4.0 64.1 1.0 CB A:ALA566 4.2 67.2 1.0 N A:ALA566 4.2 73.4 1.0 OG A:SER370 4.6 62.2 1.0 SG A:CYS567 4.7 63.0 1.0 SG A:CYS571 4.7 62.5 1.0 CD A:PRO369 4.7 63.9 1.0 CE A:MET565 4.7 67.6 1.0 N A:CYS567 4.7 68.0 1.0 CA A:ALA566 4.8 69.2 1.0 C A:CYS368 4.9 63.6 1.0 SG A:CYS423 4.9 61.9 1.0 C2 A:402700 5.0 63.7 1.0

Iron binding site 6 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:65.6 occ:0.89 FE4 A:SF4701 0.0 65.6 0.9 S3 A:SF4701 2.3 58.9 0.9 S2 A:SF4701 2.3 61.5 0.9 S1 A:SF4701 2.3 63.4 0.9 SG A:CYS571 2.3 62.5 1.0 FE1 A:SF4701 2.7 68.1 0.9 FE2 A:SF4701 2.7 62.1 0.9 FE3 A:SF4701 2.7 68.9 0.9 CB A:CYS571 3.1 61.3 1.0 CA A:CYS571 3.2 61.1 1.0 C3 A:402700 3.7 60.0 1.0 O3 A:402700 3.8 59.3 1.0 N A:CYS571 3.9 62.7 1.0 S4 A:SF4701 3.9 62.1 0.9 FE1 A:402700 4.0 59.8 1.0 C2 A:402700 4.2 63.7 1.0 S2 A:402700 4.4 63.1 1.0 C A:CYS571 4.4 62.2 1.0 SG A:CYS423 4.4 61.9 1.0 CE A:MET565 4.5 67.6 1.0 C A:GLY570 4.5 62.5 1.0 O A:CYS571 4.6 61.9 1.0 O A:GLY570 4.6 62.3 1.0 CB A:CYS368 4.8 69.7 1.0 SG A:CYS368 4.8 63.5 1.0 C4 A:402700 4.8 59.6 1.0 SG A:CYS567 5.0 63.0 1.0

Iron binding site 7 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe700 b:69.6 occ:1.00 FE1 B:402700 0.0 69.6 1.0 C3 B:402700 1.7 59.6 1.0 C4 B:402700 1.8 60.3 1.0 C5 B:402700 1.9 59.5 1.0 S1 B:402700 2.3 60.3 1.0 S2 B:402700 2.3 60.6 1.0 SG B:CYS571 2.4 63.4 1.0 FE2 B:402700 2.5 67.9 1.0 O3 B:402700 3.0 58.8 1.0 N4 B:402700 3.0 59.3 1.0 O5 B:402700 3.0 56.8 1.0 CB B:CYS571 3.3 62.7 1.0 C2 B:402700 3.3 61.1 1.0 C1 B:402700 3.5 61.6 1.0 C7 B:402700 3.7 58.2 1.0 C6 B:402700 3.8 59.3 1.0 N1 B:402700 3.9 61.9 1.0 FE4 B:SF4701 4.2 62.1 0.9 S2 B:SF4701 4.3 62.1 0.9 O7 B:402700 4.7 56.8 1.0 CE B:LYS426 4.7 62.1 1.0 CA B:CYS571 4.7 64.0 1.0 N6 B:402700 4.8 58.5 1.0 SG B:CYS367 4.9 59.0 1.0 CG B:PRO422 5.0 60.7 1.0

Iron binding site 8 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe700 b:67.9 occ:1.00 FE2 B:402700 0.0 67.9 1.0 C7 B:402700 1.8 58.2 1.0 C6 B:402700 1.9 59.3 1.0 C5 B:402700 2.0 59.5 1.0 S2 B:402700 2.3 60.6 1.0 S1 B:402700 2.3 60.3 1.0 FE1 B:402700 2.5 69.6 1.0 O5 B:402700 2.8 56.8 1.0 O7 B:402700 2.9 56.8 1.0 N6 B:402700 3.1 58.5 1.0 SG B:CYS367 3.1 59.0 1.0 C2 B:402700 3.5 61.1 1.0 C1 B:402700 3.6 61.6 1.0 C4 B:402700 3.6 60.3 1.0 C3 B:402700 3.7 59.6 1.0 N1 B:402700 3.8 61.9 1.0 CB B:CYS367 4.1 60.3 1.0 CG B:PRO392 4.2 58.9 1.0 CD B:PRO392 4.3 58.7 1.0 CD2 B:PHE485 4.4 64.0 1.0 NZ B:LYS426 4.6 61.0 1.0 SG B:CYS571 4.6 63.4 1.0 N4 B:402700 4.6 59.3 1.0 O3 B:402700 4.7 58.8 1.0 CB B:PRO392 4.7 57.1 1.0 CE B:LYS426 4.8 62.1 1.0 CD B:PRO293 4.9 56.5 1.0 CB B:PHE485 4.9 61.1 1.0

Iron binding site 9 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:61.4 occ:0.90 FE1 B:SF4701 0.0 61.4 0.9 SG B:CYS423 2.2 61.1 1.0 S3 B:SF4701 2.3 62.4 0.9 S2 B:SF4701 2.3 62.1 0.9 S4 B:SF4701 2.3 64.7 0.9 FE3 B:SF4701 2.7 60.4 0.9 FE4 B:SF4701 2.7 62.1 0.9 FE2 B:SF4701 2.7 74.3 0.9 CB B:CYS423 3.1 62.2 1.0 S1 B:SF4701 3.9 66.5 0.9 CB B:ALA425 4.1 65.8 1.0 O3 B:402700 4.2 58.8 1.0 SG B:CYS567 4.5 66.3 1.0 CA B:CYS423 4.5 62.9 1.0 SG B:CYS368 4.7 66.9 1.0 C3 B:402700 4.8 59.6 1.0 SG B:CYS571 4.8 63.4 1.0 N B:CYS423 4.9 65.6 1.0

Iron binding site 10 out of 12 in the Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of [Fefe]-Hydrogenase CBA5H (Partial) From Clostridium Beijerinckii in Hinact State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:74.3 occ:0.90 FE2 B:SF4701 0.0 74.3 0.9 S4 B:SF4701 2.3 64.7 0.9 S1 B:SF4701 2.3 66.5 0.9 S3 B:SF4701 2.3 62.4 0.9 SG B:CYS567 2.3 66.3 1.0 FE1 B:SF4701 2.7 61.4 0.9 FE3 B:SF4701 2.7 60.4 0.9 FE4 B:SF4701 2.7 62.1 0.9 CB B:CYS567 3.1 68.1 1.0 N B:CYS567 3.5 67.3 1.0 S2 B:SF4701 3.9 62.1 0.9 CA B:CYS567 3.9 67.7 1.0 O B:GLY570 4.3 65.0 1.0 CB B:ALA566 4.4 68.8 1.0 CA B:CYS571 4.6 64.0 1.0 CA B:GLY574 4.6 66.2 1.0 C B:ALA566 4.6 68.1 1.0 CB B:CYS423 4.7 62.2 1.0 N B:ALA566 4.7 71.2 1.0 SG B:CYS423 4.7 61.1 1.0 SG B:CYS368 4.8 66.9 1.0 CA B:ALA566 4.8 69.6 1.0 C B:GLY570 4.9 66.8 1.0 SG B:CYS571 5.0 63.4 1.0

J.Duan, A.Rutz, E.Hofmann, T.Happe. Crystal Structure of [Fefe]-Hydrogenase CBA5H From Clostridium Beijerinckii in Hinact State (Partial) To Be Published.