Iron in PDB 6n59: 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase

All present enzymatic activity of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase:
1.12.7.2;

The structure of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase, PDB code: 6n59 was solved by O.A.Zadvornyy, S.M.Keable, J.H.Artz, J.W.Peters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.26 / 1.02
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.035, 111.035, 103.765, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 13.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iron atom in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase (pdb code 6n59). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase, PDB code: 6n59:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:14.6 occ:0.63 FE1 A:402601 0.0 14.6 0.6 C3 A:402601 1.7 16.1 0.7 C4 A:402601 1.8 14.4 0.6 C5 A:402601 1.9 15.4 0.7 S2 A:402601 2.3 15.2 0.6 S1 A:402601 2.3 15.3 0.6 SG A:CYS503 2.4 14.7 0.7 FE2 A:402601 2.6 15.6 0.6 O3 A:402601 2.9 16.9 0.7 O5 A:402601 3.0 16.7 0.6 N4 A:402601 3.0 15.4 0.8 HB3 A:CYS503 3.3 17.8 1.0 CB A:CYS503 3.4 14.8 0.7 C1 A:402601 3.4 16.0 0.6 HB2 A:CYS503 3.5 17.8 1.0 C2 A:402601 3.5 16.5 0.7 H11 A:402601 3.5 19.2 1.0 H8 A:402601 3.5 30.0 1.0 C7 A:402601 3.8 15.3 0.6 C6 A:402601 3.8 15.7 0.7 N1 A:402601 3.9 16.8 0.6 HE3 A:LYS358 4.0 17.2 1.0 HD2 A:PRO231 4.0 18.0 1.0 HB1 A:ALA230 4.1 16.7 1.0 FE3 A:SF4602 4.1 14.4 0.7 HA2 A:GLY418 4.2 18.8 1.0 S4 A:SF4602 4.3 14.7 0.7 HG2 A:PRO354 4.3 17.7 1.0 H12 A:402601 4.4 19.2 1.0 HG3 A:PRO354 4.4 17.7 1.0 H7 A:402601 4.4 19.8 1.0 HE3 A:MET353 4.4 18.0 0.5 HG2 A:PRO231 4.4 19.2 1.0 HD2 A:PRO354 4.5 17.8 1.0 HE2 A:MET353 4.7 18.0 0.5 CG A:PRO354 4.7 14.7 0.7 O A:HOH715 4.7 17.7 0.1 N6 A:402601 4.8 16.7 0.8 CA A:CYS503 4.8 14.4 0.7 O7 A:402601 4.8 15.5 0.6 CE A:LYS358 4.8 14.3 0.6 HE2 A:LYS358 4.8 17.2 1.0 H9 A:402601 4.9 20.2 1.0 HB3 A:PHE417 4.9 18.7 1.0 HG A:SER232 4.9 19.5 1.0 CD A:PRO231 4.9 15.0 0.6

Iron binding site 2 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:15.6 occ:0.61 FE2 A:402601 0.0 15.6 0.6 C7 A:402601 1.8 15.3 0.6 C6 A:402601 1.9 15.7 0.7 C5 A:402601 2.0 15.4 0.7 S2 A:402601 2.3 15.2 0.6 S1 A:402601 2.3 15.3 0.6 FE1 A:402601 2.6 14.6 0.6 O A:HOH715 2.7 17.7 0.1 O5 A:402601 2.9 16.7 0.6 N6 A:402601 3.0 16.7 0.8 O7 A:402601 3.0 15.5 0.6 HG2 A:PRO324 3.3 19.9 1.0 N1 A:402601 3.4 16.8 0.6 C1 A:402601 3.4 16.0 0.6 C2 A:402601 3.4 16.5 0.7 HD2 A:PHE417 3.5 18.2 1.0 HD2 A:PRO324 3.6 18.8 1.0 HB2 A:PRO324 3.6 19.2 1.0 C3 A:402601 3.7 16.1 0.7 C4 A:402601 3.7 14.4 0.6 HE3 A:LYS358 4.0 17.2 1.0 HD2 A:PRO231 4.0 18.0 1.0 H12 A:402601 4.0 19.2 1.0 CG A:PRO324 4.1 16.6 0.7 HB3 A:PHE417 4.1 18.7 1.0 H7 A:402601 4.1 19.8 1.0 HE3 A:MET353 4.1 18.0 0.5 H11 A:402601 4.2 19.2 1.0 H8 A:402601 4.2 30.0 1.0 HZ2 A:LYS358 4.2 16.1 1.0 HG2 A:PRO231 4.2 19.2 1.0 CD A:PRO324 4.3 15.6 0.7 CB A:PRO324 4.3 16.0 0.7 HB2 A:CYS299 4.3 20.2 1.0 CD2 A:PHE417 4.4 15.2 0.6 H9 A:402601 4.4 20.2 1.0 HZ3 A:LYS358 4.6 16.1 1.0 SG A:CYS503 4.6 14.7 0.7 O3 A:402601 4.6 16.9 0.7 NZ A:LYS358 4.7 13.4 0.6 HG22 A:ILE268 4.7 19.4 1.0 N4 A:402601 4.7 15.4 0.8 HG21 A:ILE268 4.7 19.4 1.0 CE A:LYS358 4.7 14.3 0.6 CD A:PRO231 4.7 15.0 0.6 HB1 A:ALA230 4.8 16.7 1.0 HB3 A:PRO324 4.8 19.2 1.0 HD3 A:PRO231 4.9 18.0 1.0 H A:GLN325 4.9 16.7 1.0 HD3 A:PRO324 4.9 18.8 1.0 HG3 A:PRO324 4.9 19.9 1.0 CG A:PRO231 4.9 16.0 0.6 CB A:PHE417 4.9 15.5 0.6 CE A:MET353 5.0 15.0 0.3 O A:CYS299 5.0 16.8 0.7 HE2 A:PHE417 5.0 18.4 1.0

Iron binding site 3 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.2 occ:0.68 FE1 A:SF4602 0.0 14.2 0.7 SG A:CYS355 2.3 14.5 0.7 S4 A:SF4602 2.3 14.7 0.7 S3 A:SF4602 2.3 15.0 0.7 S2 A:SF4602 2.3 14.7 0.7 FE2 A:SF4602 2.7 14.6 0.7 FE3 A:SF4602 2.7 14.4 0.7 FE4 A:SF4602 2.7 14.7 0.7 HG A:SER357 2.9 38.9 0.2 HB2 A:CYS355 3.0 18.7 1.0 CB A:CYS355 3.3 15.6 0.8 OG A:SER357 3.4 32.4 0.4 HD2 A:PRO301 3.7 19.4 1.0 HB3 A:SER357 3.8 17.8 0.8 O A:HOH727 3.8 18.7 0.8 S1 A:SF4602 3.9 14.8 0.7 HB3 A:CYS355 3.9 18.7 1.0 HG2 A:LYS358 4.0 17.6 1.0 O3 A:402601 4.0 16.9 0.7 HA A:CYS355 4.2 18.9 1.0 HE2 A:LYS358 4.2 17.2 1.0 CA A:CYS355 4.3 15.8 0.8 H A:SER357 4.4 23.9 0.8 H A:SER357 4.4 16.1 0.2 H A:GLY302 4.5 18.3 1.0 C3 A:402601 4.6 16.1 0.7 CD A:PRO301 4.6 16.2 0.8 H A:LYS358 4.7 18.2 1.0 CB A:SER357 4.7 29.9 0.3 SG A:CYS300 4.7 15.2 0.8 SG A:CYS503 4.7 14.7 0.7 CB A:SER357 4.7 14.8 0.7 SG A:CYS499 4.7 14.6 0.7 HA A:CYS300 4.8 18.1 1.0 HG2 A:PRO301 4.8 20.1 1.0 CG A:LYS358 4.9 14.7 0.8 HA3 A:GLY506 4.9 17.8 1.0 HA A:CYS503 4.9 17.2 1.0 HB3 A:SER357 4.9 35.9 0.2 HA A:CYS193 4.9 18.0 1.0 HG3 A:LYS358 5.0 17.6 1.0

Iron binding site 4 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.6 occ:0.72 FE2 A:SF4602 0.0 14.6 0.7 SG A:CYS300 2.3 15.2 0.8 S1 A:SF4602 2.3 14.8 0.7 S4 A:SF4602 2.3 14.7 0.7 S3 A:SF4602 2.3 15.0 0.7 FE1 A:SF4602 2.7 14.2 0.7 FE3 A:SF4602 2.7 14.4 0.7 FE4 A:SF4602 2.8 14.7 0.7 H A:ALA498 3.3 18.4 1.0 HB2 A:CYS300 3.3 18.9 1.0 CB A:CYS300 3.3 15.7 0.8 HA A:CYS300 3.4 18.1 1.0 HB3 A:ALA498 3.5 18.5 1.0 H A:GLY302 3.6 18.3 1.0 HD2 A:PRO301 3.6 19.4 1.0 CA A:CYS300 3.9 15.1 0.8 S2 A:SF4602 3.9 14.7 0.7 H8 A:402601 4.0 30.0 1.0 H A:CYS499 4.1 18.6 1.0 N A:ALA498 4.1 15.3 0.7 HB3 A:CYS300 4.2 18.9 1.0 CB A:ALA498 4.3 15.4 0.7 HA3 A:GLY302 4.3 18.7 1.0 HA A:MET497 4.3 18.8 1.0 HB2 A:ALA498 4.4 18.5 1.0 C A:CYS300 4.4 14.2 0.7 N A:GLY302 4.4 15.3 0.7 CD A:PRO301 4.4 16.2 0.8 H A:TRP303 4.4 17.8 1.0 N A:PRO301 4.4 15.5 0.8 HG A:SER357 4.6 38.9 0.2 HB3 A:MET497 4.6 19.5 1.0 OG A:SER357 4.6 32.4 0.4 CA A:ALA498 4.7 14.8 0.7 H7 A:402601 4.7 19.8 1.0 SG A:CYS503 4.7 14.7 0.7 SG A:CYS499 4.7 14.6 0.7 N A:CYS499 4.8 15.5 0.8 C2 A:402601 4.8 16.5 0.7 SD A:MET497 4.8 16.0 0.6 SG A:CYS355 4.8 14.5 0.7 HD3 A:PRO301 4.8 19.4 1.0 CA A:GLY302 4.9 15.6 0.7 HB2 A:CYS499 5.0 18.5 1.0

Iron binding site 5 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.4 occ:0.70 FE3 A:SF4602 0.0 14.4 0.7 S4 A:SF4602 2.3 14.7 0.7 S1 A:SF4602 2.3 14.8 0.7 S2 A:SF4602 2.3 14.7 0.7 SG A:CYS503 2.3 14.7 0.7 FE2 A:SF4602 2.7 14.6 0.7 FE1 A:SF4602 2.7 14.2 0.7 FE4 A:SF4602 2.7 14.7 0.7 HA A:CYS503 2.9 17.2 1.0 CB A:CYS503 3.3 14.8 0.7 H8 A:402601 3.4 30.0 1.0 CA A:CYS503 3.5 14.4 0.7 HB3 A:CYS503 3.5 17.8 1.0 C3 A:402601 3.9 16.1 0.7 S3 A:SF4602 3.9 15.0 0.7 N A:CYS503 3.9 15.2 0.7 O3 A:402601 4.0 16.9 0.7 H A:CYS503 4.0 18.2 1.0 FE1 A:402601 4.1 14.6 0.6 HB2 A:CYS503 4.2 17.8 1.0 HB2 A:CYS355 4.2 18.7 1.0 C2 A:402601 4.2 16.5 0.7 S2 A:402601 4.3 15.2 0.6 HB2 A:CYS499 4.4 18.5 1.0 HG2 A:PRO354 4.6 17.7 1.0 H11 A:402601 4.6 19.2 1.0 C A:GLY502 4.6 15.0 0.7 HB2 A:CYS300 4.7 18.9 1.0 SD A:MET497 4.7 16.0 0.6 SG A:CYS355 4.7 14.5 0.7 H7 A:402601 4.8 19.8 1.0 SG A:CYS300 4.8 15.2 0.8 C A:CYS503 4.8 14.5 0.7 HA3 A:GLY506 4.8 17.8 1.0 HA A:CYS300 4.8 18.1 1.0 H A:CYS499 4.8 18.6 1.0 SG A:CYS499 4.9 14.6 0.7 HB3 A:MET497 4.9 19.5 1.0 HD2 A:PRO301 4.9 19.4 1.0 CB A:CYS355 4.9 15.6 0.8

Iron binding site 6 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.7 occ:0.72 FE4 A:SF4602 0.0 14.7 0.7 SG A:CYS499 2.3 14.6 0.7 S1 A:SF4602 2.3 14.8 0.7 S3 A:SF4602 2.3 15.0 0.7 S2 A:SF4602 2.3 14.7 0.7 FE1 A:SF4602 2.7 14.2 0.7 FE3 A:SF4602 2.7 14.4 0.7 FE2 A:SF4602 2.8 14.6 0.7 HB2 A:CYS499 2.9 18.5 1.0 CB A:CYS499 3.2 15.4 0.7 H A:CYS499 3.3 18.6 1.0 HA2 A:GLY506 3.5 17.8 1.0 HA A:CYS503 3.8 17.2 1.0 HB3 A:ALA498 3.8 18.5 1.0 N A:CYS499 3.8 15.5 0.8 HB3 A:CYS499 3.9 18.5 1.0 S4 A:SF4602 3.9 14.7 0.7 HA3 A:GLY506 4.0 17.8 1.0 CA A:CYS499 4.1 15.2 0.7 O A:HOH727 4.1 18.7 0.8 CA A:GLY506 4.2 14.8 0.7 HB2 A:CYS193 4.3 19.2 1.0 H A:GLY507 4.4 17.8 1.0 H A:ALA498 4.4 18.4 1.0 SG A:CYS355 4.6 14.5 0.7 HA A:CYS499 4.6 18.2 1.0 CB A:ALA498 4.7 15.4 0.7 CA A:CYS503 4.7 14.4 0.7 C A:ALA498 4.7 15.0 0.7 HB2 A:CYS355 4.8 18.7 1.0 SG A:CYS300 4.8 15.2 0.8 HE21 A:GLN195 4.8 20.2 1.0 HG A:SER357 4.8 38.9 0.2 HA A:CYS193 4.9 18.0 1.0 N A:ALA498 4.9 15.3 0.7 SG A:CYS503 4.9 14.7 0.7 O A:GLY502 5.0 16.5 0.8

Iron binding site 7 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:14.8 occ:0.71 FE1 A:SF4603 0.0 14.8 0.7 S4 A:SF4603 2.3 15.0 0.8 S3 A:SF4603 2.3 14.8 0.7 S2 A:SF4603 2.3 15.2 0.7 SG A:CYS193 2.4 15.3 0.7 FE2 A:SF4603 2.7 14.6 0.7 FE3 A:SF4603 2.7 15.0 0.8 FE4 A:SF4603 2.7 14.6 0.7 H A:CYS193 3.0 17.7 1.0 HG21 A:THR161 3.2 18.6 1.0 H A:GLY194 3.3 17.0 1.0 H A:GLN195 3.5 18.8 1.0 N A:CYS193 3.7 14.8 0.7 CB A:CYS193 3.8 16.0 0.7 HB2 A:LEU191 3.8 18.2 1.0 N A:GLY194 3.9 14.1 0.7 S1 A:SF4603 3.9 14.8 0.7 HB3 A:CYS193 4.0 19.2 1.0 H A:LEU191 4.0 18.5 1.0 H A:LEU192 4.0 17.6 1.0 HB2 A:GLN195 4.1 19.7 1.0 CA A:CYS193 4.1 15.0 0.7 CG2 A:THR161 4.1 15.5 0.6 H A:CYS196 4.2 18.1 1.0 N A:GLN195 4.2 15.7 0.8 HG23 A:THR161 4.2 18.6 1.0 C A:CYS193 4.3 14.4 0.7 N A:LEU192 4.4 14.7 0.7 HG22 A:THR161 4.4 18.6 1.0 HB2 A:CYS193 4.5 19.2 1.0 SG A:CYS190 4.6 15.1 0.7 SG A:CYS196 4.7 15.2 0.7 C A:LEU192 4.7 15.5 0.8 CB A:LEU191 4.7 15.2 0.7 N A:LEU191 4.7 15.4 0.8 HA A:LEU192 4.7 18.0 1.0 CA A:GLY194 4.8 15.1 0.7 HG A:LEU191 4.8 18.7 1.0 HA2 A:GLY194 4.8 18.1 1.0 SG A:CYS157 4.8 15.1 0.7 HA A:CYS157 4.9 18.9 1.0 HD12 A:LEU191 4.9 18.0 1.0 CB A:GLN195 4.9 16.4 0.7 CA A:LEU192 4.9 15.0 0.8 HG2 A:GLN195 4.9 19.5 1.0 H2 A:HOH905 4.9 20.3 0.1 C A:GLY194 4.9 15.4 0.8 N A:CYS196 5.0 15.0 0.7 C A:LEU191 5.0 15.0 0.7

Iron binding site 8 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:14.6 occ:0.71 FE2 A:SF4603 0.0 14.6 0.7 S1 A:SF4603 2.3 14.8 0.7 S4 A:SF4603 2.3 15.0 0.8 S3 A:SF4603 2.3 14.8 0.7 SG A:CYS196 2.3 15.2 0.7 FE1 A:SF4603 2.7 14.8 0.7 FE3 A:SF4603 2.7 15.0 0.8 FE4 A:SF4603 2.8 14.6 0.7 HB3 A:CYS196 3.0 18.5 1.0 H A:CYS196 3.1 18.1 1.0 CB A:CYS196 3.3 15.4 0.7 HE2 A:MET166 3.7 20.1 1.0 H A:GLY194 3.8 17.0 1.0 HD11 A:LEU140 3.9 20.8 1.0 N A:CYS196 3.9 15.0 0.7 S2 A:SF4603 3.9 15.2 0.7 HB2 A:CYS196 4.0 18.5 1.0 HB2 A:CYS157 4.1 18.8 1.0 HB2 A:MET166 4.1 18.2 1.0 HA2 A:GLY194 4.2 18.1 1.0 H A:GLN195 4.2 18.8 1.0 CA A:CYS196 4.2 15.6 0.7 HD13 A:LEU140 4.3 20.8 1.0 N A:GLY194 4.4 14.1 0.7 N A:GLN195 4.5 15.7 0.8 CD1 A:LEU140 4.5 17.3 0.4 CE A:MET166 4.6 16.7 0.6 CA A:GLY194 4.6 15.1 0.7 SG A:CYS190 4.6 15.1 0.7 SG A:CYS193 4.7 15.3 0.7 SG A:CYS157 4.8 15.1 0.7 HE3 A:MET166 4.8 20.1 1.0 C A:GLY194 4.8 15.4 0.8 HA A:CYS196 4.8 18.8 1.0 HB2 A:GLN195 4.8 19.7 1.0 H A:ILE197 4.9 17.2 1.0 CB A:CYS157 4.9 15.6 0.7 H A:CYS193 4.9 17.7 1.0 HE1 A:MET166 4.9 20.1 1.0 C A:GLN195 5.0 15.4 0.7

Iron binding site 9 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:15.0 occ:0.75 FE3 A:SF4603 0.0 15.0 0.8 SG A:CYS190 2.3 15.1 0.7 S4 A:SF4603 2.3 15.0 0.8 S1 A:SF4603 2.3 14.8 0.7 S2 A:SF4603 2.3 15.2 0.7 FE2 A:SF4603 2.7 14.6 0.7 FE1 A:SF4603 2.7 14.8 0.7 FE4 A:SF4603 2.7 14.6 0.7 H A:LEU192 3.2 17.6 1.0 H A:LEU191 3.3 18.5 1.0 HB3 A:ALA165 3.4 18.1 1.0 HA A:CYS190 3.4 18.7 1.0 CB A:CYS190 3.4 16.3 0.8 HB2 A:CYS190 3.5 19.5 1.0 CA A:CYS190 3.8 15.6 0.7 HD11 A:LEU140 3.8 20.8 1.0 N A:LEU191 3.9 15.4 0.8 S3 A:SF4603 3.9 14.8 0.7 HD2 A:PHE185 3.9 20.0 1.0 N A:LEU192 4.0 14.7 0.7 HB1 A:ALA165 4.1 18.1 1.0 HA A:LEU192 4.1 18.0 1.0 CB A:ALA165 4.1 15.1 0.6 H A:CYS193 4.2 17.7 1.0 HB3 A:CYS190 4.3 19.5 1.0 C A:CYS190 4.3 14.9 0.7 HD23 A:LEU192 4.6 20.1 1.0 CA A:LEU192 4.6 15.0 0.8 HB2 A:ALA165 4.6 18.1 1.0 H A:GLY194 4.6 17.0 1.0 CD1 A:LEU140 4.6 17.3 0.4 CD2 A:PHE185 4.7 16.6 0.7 HB2 A:LEU191 4.7 18.2 1.0 HD12 A:LEU140 4.7 20.8 1.0 SG A:CYS157 4.8 15.1 0.7 N A:CYS193 4.8 14.8 0.7 CA A:LEU191 4.8 15.0 0.8 SG A:CYS196 4.8 15.2 0.7 HE2 A:PHE185 4.8 21.3 1.0 HD13 A:LEU140 4.8 20.8 1.0 C A:LEU191 4.9 15.0 0.7 HB3 A:PHE185 4.9 20.2 1.0

Iron binding site 10 out of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:14.6 occ:0.70 FE4 A:SF4603 0.0 14.6 0.7 SG A:CYS157 2.3 15.1 0.7 S3 A:SF4603 2.3 14.8 0.7 S1 A:SF4603 2.3 14.8 0.7 S2 A:SF4603 2.3 15.2 0.7 FE1 A:SF4603 2.7 14.8 0.7 FE3 A:SF4603 2.7 15.0 0.8 FE2 A:SF4603 2.8 14.6 0.7 HB2 A:CYS157 3.0 18.8 1.0 CB A:CYS157 3.2 15.6 0.7 HB3 A:ALA165 3.2 18.1 1.0 HA A:CYS157 3.6 18.9 1.0 HG21 A:THR161 3.7 18.6 1.0 HG1 A:THR163 3.8 19.4 1.0 H A:MET166 3.8 19.3 1.0 S4 A:SF4603 3.9 15.0 0.8 HG1 A:THR161 4.0 18.8 1.0 CA A:CYS157 4.0 15.7 0.8 HB2 A:MET166 4.0 18.2 1.0 HB3 A:CYS157 4.0 18.8 1.0 H A:ALA165 4.0 20.1 1.0 OG1 A:THR163 4.1 16.1 0.7 CB A:ALA165 4.2 15.1 0.6 OG1 A:THR161 4.2 15.7 0.7 HG23 A:THR161 4.3 18.6 1.0 N A:MET166 4.4 16.1 0.8 HB3 A:CYS196 4.4 18.5 1.0 CG2 A:THR161 4.4 15.5 0.6 HB2 A:ALA165 4.6 18.1 1.0 N A:ALA165 4.6 16.8 0.8 HB3 A:MET166 4.6 18.2 1.0 HB1 A:ALA165 4.7 18.1 1.0 CB A:MET166 4.7 15.2 0.6 HA A:CYS190 4.7 18.7 1.0 H A:LEU191 4.7 18.5 1.0 CA A:ALA165 4.8 16.0 0.7 H A:CYS196 4.8 18.1 1.0 C A:CYS157 4.8 16.3 0.8 C A:ALA165 4.8 15.8 0.7 SG A:CYS193 4.8 15.3 0.7 SG A:CYS196 4.9 15.2 0.7 CB A:THR161 4.9 15.6 0.7 SG A:CYS190 4.9 15.1 0.7 O A:CYS157 4.9 16.3 0.7

J.H.Artz, O.A.Zadvornyy, D.W.Mulder, S.M.Keable, A.E.Cohen, M.W.Ratzloff, S.G.Williams, B.Ginovska, N.Kumar, J.Song, S.E.Mcphillips, C.Davidson, A.Y.Lyubimov, N.Pence, G.J.Schut, A.K.Jones, S.M.Soltis, M.Adams, S.Raugei, P.W.King, J.W.Peters. Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc. 2019.
ISSN: ESSN 1520-5126
PubMed: 31816235
DOI: 10.1021/JACS.9B08756