Iron in PDB 9gbu: Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei

All present enzymatic activity of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei:
1.12.7.2;

The structure of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei, PDB code: 9gbu was solved by K.Bikbaev, J.Jaenecke, M.Winkler, I.Span, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.84 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.024, 98.814, 112.208, 90, 90, 90
R / Rfree (%)	20.1 / 24.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei (pdb code 9gbu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei, PDB code: 9gbu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:27.6 occ:1.00 FE1 A:402505 0.0 27.6 1.0 HG A:CYS382 1.4 28.6 0.0 C3 A:402505 1.8 27.7 1.0 C5 A:402505 1.9 27.8 1.0 C4 A:402505 1.9 24.1 1.0 S1 A:402505 2.2 26.5 1.0 S2 A:402505 2.2 26.9 1.0 SG A:CYS382 2.5 28.6 1.0 FE2 A:402505 2.6 26.9 1.0 HS1 A:402505 2.9 26.5 1.0 O5 A:402505 2.9 24.4 1.0 O3 A:402505 3.0 26.1 1.0 N4 A:402505 3.0 27.9 1.0 HS2 A:402505 3.0 26.9 1.0 H7 A:402505 3.2 29.0 1.0 C2 A:402505 3.2 29.0 1.0 C1 A:402505 3.3 27.5 1.0 HB3 A:CYS382 3.4 28.7 1.0 CB A:CYS382 3.5 28.7 1.0 H12 A:402505 3.5 27.5 1.0 HB2 A:CYS382 3.6 28.7 1.0 N1 A:402505 3.6 29.9 1.0 C7 A:402505 3.8 26.1 1.0 C6 A:402505 3.9 21.2 1.0 HE3 A:LYS237 3.9 25.0 1.0 HD2 A:PRO108 4.0 26.6 1.0 HB3 A:ALA107 4.1 23.8 1.0 FE3 A:SF4506 4.1 27.2 1.0 H8 A:402505 4.1 29.0 1.0 S1 A:SF4506 4.2 27.5 1.0 H11 A:402505 4.2 27.5 1.0 HA2 A:GLY297 4.3 26.8 1.0 HG3 A:PRO233 4.4 25.9 1.0 H9 A:402505 4.5 29.9 0.0 HD2 A:PRO233 4.6 23.7 1.0 HG2 A:PRO233 4.6 25.9 1.0 HE2 A:LYS237 4.6 25.0 1.0 HG2 A:PRO108 4.7 29.5 1.0 CE A:LYS237 4.7 25.0 1.0 O7 A:402505 4.8 23.8 1.0 HZ3 A:LYS237 4.8 26.3 1.0 HB1 A:ALA107 4.8 23.8 1.0 N6 A:402505 4.8 22.3 1.0 CG A:PRO233 4.9 25.9 1.0 CA A:CYS382 4.9 28.9 1.0 CB A:ALA107 4.9 23.8 1.0 CD A:PRO108 4.9 26.6 1.0 HB3 A:PHE296 4.9 25.2 1.0

Iron binding site 2 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:26.9 occ:1.00 FE2 A:402505 0.0 26.9 1.0 C7 A:402505 1.8 26.1 1.0 C6 A:402505 1.8 21.2 1.0 C5 A:402505 1.9 27.8 1.0 S1 A:402505 2.1 26.5 1.0 S2 A:402505 2.2 26.9 1.0 FE1 A:402505 2.6 27.6 1.0 HS1 A:402505 2.9 26.5 1.0 O5 A:402505 2.9 24.4 1.0 O7 A:402505 3.0 23.8 1.0 HS2 A:402505 3.0 26.9 1.0 N6 A:402505 3.0 22.3 1.0 N1 A:402505 3.1 29.9 1.0 C1 A:402505 3.2 27.5 1.0 C2 A:402505 3.2 29.0 1.0 HG2 A:PRO203 3.4 25.6 1.0 HD2 A:PHE296 3.4 26.0 1.0 HD2 A:PRO203 3.6 24.2 1.0 HG A:CYS382 3.7 28.6 0.0 H11 A:402505 3.7 27.5 1.0 C4 A:402505 3.8 24.1 1.0 C3 A:402505 3.9 27.7 1.0 H8 A:402505 3.9 29.0 1.0 H7 A:402505 3.9 29.0 1.0 HZ3 A:LYS237 4.0 26.3 1.0 HB2 A:PRO203 4.0 24.5 1.0 HB2 A:CYS178 4.0 24.3 1.0 HD2 A:PRO108 4.0 26.6 1.0 H12 A:402505 4.0 27.5 1.0 HE3 A:LYS237 4.1 25.0 1.0 H9 A:402505 4.2 29.9 0.0 CG A:PRO203 4.2 25.6 1.0 HB3 A:PHE296 4.2 25.2 1.0 HG2 A:PRO108 4.3 29.5 1.0 CD A:PRO203 4.4 24.2 1.0 CD2 A:PHE296 4.4 26.0 1.0 HZ2 A:LYS237 4.6 26.3 1.0 CB A:PRO203 4.6 24.5 1.0 NZ A:LYS237 4.6 26.3 1.0 HG23 A:THR145 4.7 28.6 1.0 N4 A:402505 4.7 27.9 1.0 HD3 A:PRO108 4.7 26.6 1.0 CD A:PRO108 4.7 26.6 1.0 SG A:CYS382 4.8 28.6 1.0 CE A:LYS237 4.8 25.0 1.0 HG21 A:THR145 4.8 28.6 1.0 HB2 A:SER202 4.8 25.2 1.0 O3 A:402505 4.9 26.1 1.0 HG A:CYS178 4.9 30.4 0.0 HE2 A:PHE296 4.9 28.1 1.0 HD3 A:PRO203 4.9 24.2 1.0 CB A:CYS178 5.0 24.3 1.0 HG3 A:PRO203 5.0 25.6 1.0

Iron binding site 3 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:30.0 occ:1.00 FE1 A:SF4506 0.0 30.0 1.0 S3 A:SF4506 2.2 27.7 1.0 S2 A:SF4506 2.3 30.3 1.0 SG A:CYS378 2.3 30.9 1.0 S4 A:SF4506 2.3 28.7 1.0 HG A:CYS378 2.4 30.9 0.0 FE2 A:SF4506 2.6 29.0 1.0 FE4 A:SF4506 2.7 28.7 1.0 FE3 A:SF4506 2.8 27.2 1.0 HB2 A:CYS378 3.0 28.3 1.0 CB A:CYS378 3.3 28.3 1.0 H A:CYS378 3.3 31.0 1.0 HA2 A:GLY385 3.6 29.8 1.0 N A:CYS378 3.7 31.0 1.0 HB2 A:ALA377 3.8 32.2 1.0 S1 A:SF4506 3.8 27.5 1.0 HA A:CYS382 3.9 28.9 1.0 HB3 A:CYS378 4.0 28.3 1.0 O A:HOH634 4.0 30.5 1.0 CA A:CYS378 4.1 29.0 1.0 HA3 A:GLY385 4.2 29.8 1.0 H A:ALA377 4.3 31.6 1.0 CA A:GLY385 4.4 29.8 1.0 H A:GLY386 4.5 31.3 1.0 SG A:CYS234 4.5 30.1 1.0 C A:ALA377 4.6 32.6 1.0 HB2 A:CYS69 4.6 36.1 1.0 HA A:CYS378 4.6 29.0 1.0 HG A:CYS234 4.6 30.1 0.0 CB A:ALA377 4.7 32.2 1.0 HG A:CYS179 4.7 31.6 0.0 N A:ALA377 4.7 31.6 1.0 SG A:CYS179 4.7 31.6 1.0 HB2 A:CYS234 4.8 28.0 1.0 CA A:CYS382 4.8 28.9 1.0 HA A:CYS69 4.8 36.8 1.0 CA A:ALA377 4.9 33.0 1.0 HE22 A:GLN71 4.9 36.3 1.0 SG A:CYS382 5.0 28.6 1.0 O A:GLY381 5.0 30.3 1.0 O A:CYS69 5.0 31.7 1.0

Iron binding site 4 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:29.0 occ:1.00 FE2 A:SF4506 0.0 29.0 1.0 HG A:CYS234 2.1 30.1 0.0 S1 A:SF4506 2.2 27.5 1.0 S4 A:SF4506 2.3 28.7 1.0 S3 A:SF4506 2.3 27.7 1.0 SG A:CYS234 2.3 30.1 1.0 FE1 A:SF4506 2.6 30.0 1.0 FE4 A:SF4506 2.7 28.7 1.0 FE3 A:SF4506 2.7 27.2 1.0 HB2 A:CYS234 3.0 28.0 1.0 CB A:CYS234 3.3 28.0 1.0 HD2 A:PRO180 3.6 30.9 1.0 S2 A:SF4506 3.8 30.3 1.0 O A:HOH634 3.8 30.5 1.0 HB2 A:ALA236 3.8 29.0 1.0 HB3 A:CYS234 3.9 28.0 1.0 O3 A:402505 4.0 26.1 1.0 HG2 A:LYS237 4.0 26.7 1.0 HA A:CYS234 4.1 26.7 1.0 HG2 A:PRO180 4.2 29.5 1.0 HE2 A:LYS237 4.3 25.0 1.0 CA A:CYS234 4.3 26.7 1.0 HG A:CYS378 4.4 30.9 0.0 H A:ALA236 4.5 28.6 1.0 H A:GLY181 4.5 27.2 1.0 C3 A:402505 4.5 27.7 1.0 CD A:PRO180 4.5 30.9 1.0 SG A:CYS378 4.6 30.9 1.0 H A:LYS237 4.7 27.1 1.0 SG A:CYS179 4.7 31.6 1.0 SG A:CYS382 4.7 28.6 1.0 HA A:CYS382 4.7 28.9 1.0 CB A:ALA236 4.8 29.0 1.0 CG A:PRO180 4.8 29.5 1.0 HG2 A:PRO233 4.8 25.9 1.0 HA A:CYS179 4.8 29.0 1.0 HA3 A:GLY385 4.9 29.8 1.0 CG A:LYS237 4.9 26.7 1.0 HG3 A:LYS237 4.9 26.7 1.0 H A:ILE235 4.9 29.4 1.0 HG3 A:PRO180 5.0 29.5 1.0 HB1 A:ALA236 5.0 29.0 1.0

Iron binding site 5 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:27.2 occ:1.00 FE3 A:SF4506 0.0 27.2 1.0 S1 A:SF4506 2.2 27.5 1.0 S4 A:SF4506 2.3 28.7 1.0 SG A:CYS382 2.3 28.6 1.0 S2 A:SF4506 2.3 30.3 1.0 FE2 A:SF4506 2.7 29.0 1.0 FE4 A:SF4506 2.7 28.7 1.0 FE1 A:SF4506 2.8 30.0 1.0 HA A:CYS382 2.8 28.9 1.0 HG A:CYS382 3.2 28.6 0.0 H7 A:402505 3.2 29.0 1.0 CB A:CYS382 3.3 28.7 1.0 CA A:CYS382 3.5 28.9 1.0 HB3 A:CYS382 3.6 28.7 1.0 C3 A:402505 3.7 27.7 1.0 N A:CYS382 3.9 27.9 1.0 S3 A:SF4506 3.9 27.7 1.0 O3 A:402505 3.9 26.1 1.0 H A:CYS382 4.1 27.9 1.0 FE1 A:402505 4.1 27.6 1.0 HB2 A:CYS382 4.2 28.7 1.0 C2 A:402505 4.2 29.0 1.0 HB2 A:CYS234 4.2 28.0 1.0 HG A:CYS234 4.3 30.1 0.0 S2 A:402505 4.4 26.9 1.0 HG2 A:PRO233 4.4 25.9 1.0 HB2 A:CYS179 4.5 30.0 1.0 C A:GLY381 4.6 30.5 1.0 HS2 A:402505 4.6 26.9 1.0 HB2 A:CYS378 4.7 28.3 1.0 H8 A:402505 4.7 29.0 1.0 HG A:CYS378 4.7 30.9 0.0 SD A:MET376 4.7 31.2 1.0 HB3 A:MET376 4.7 28.6 1.0 SG A:CYS234 4.8 30.1 1.0 HD2 A:PRO180 4.8 30.9 1.0 H12 A:402505 4.8 27.5 1.0 C A:CYS382 4.8 25.8 1.0 SG A:CYS179 4.8 31.6 1.0 HA A:CYS179 4.8 29.0 1.0 H A:CYS378 4.9 31.0 1.0 HA3 A:GLY385 4.9 29.8 1.0 SG A:CYS378 5.0 30.9 1.0 HG A:CYS179 5.0 31.6 0.0 CB A:CYS234 5.0 28.0 1.0

Iron binding site 6 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:28.7 occ:1.00 FE4 A:SF4506 0.0 28.7 1.0 S2 A:SF4506 2.2 30.3 1.0 SG A:CYS179 2.3 31.6 1.0 S3 A:SF4506 2.3 27.7 1.0 S1 A:SF4506 2.3 27.5 1.0 HG A:CYS179 2.6 31.6 0.0 FE2 A:SF4506 2.7 29.0 1.0 FE1 A:SF4506 2.7 30.0 1.0 FE3 A:SF4506 2.7 27.2 1.0 H A:ALA377 3.1 31.6 1.0 HB2 A:CYS179 3.1 30.0 1.0 CB A:CYS179 3.3 30.0 1.0 HB2 A:ALA377 3.4 32.2 1.0 HD2 A:PRO180 3.5 30.9 1.0 HA A:CYS179 3.5 29.0 1.0 H A:GLY181 3.6 27.2 1.0 S4 A:SF4506 3.9 28.7 1.0 CA A:CYS179 3.9 29.0 1.0 N A:ALA377 3.9 31.6 1.0 H A:CYS378 4.0 31.0 1.0 H7 A:402505 4.1 29.0 1.0 HB3 A:CYS179 4.1 30.0 1.0 HA A:MET376 4.1 28.2 1.0 CB A:ALA377 4.2 32.2 1.0 HB1 A:ALA377 4.3 32.2 1.0 HG A:CYS234 4.3 30.1 0.0 HA3 A:GLY181 4.3 29.3 1.0 CD A:PRO180 4.4 30.9 1.0 C A:CYS179 4.4 31.1 1.0 N A:GLY181 4.5 27.2 1.0 H A:TRP182 4.5 38.3 1.0 CA A:ALA377 4.6 33.0 1.0 HB3 A:MET376 4.6 28.6 1.0 N A:PRO180 4.6 30.0 1.0 SG A:CYS378 4.7 30.9 1.0 N A:CYS378 4.7 31.0 1.0 SG A:CYS382 4.8 28.6 1.0 H8 A:402505 4.8 29.0 1.0 SG A:CYS234 4.8 30.1 1.0 CA A:MET376 4.8 28.2 1.0 C A:MET376 4.8 30.4 1.0 HG2 A:PRO180 4.8 29.5 1.0 C2 A:402505 4.9 29.0 1.0 CA A:GLY181 4.9 29.3 1.0 HB3 A:ALA377 4.9 32.2 1.0 SD A:MET376 4.9 31.2 1.0

Iron binding site 7 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:37.0 occ:1.00 FE1 A:SF4507 0.0 37.0 1.0 S4 A:SF4507 2.2 35.0 1.0 S3 A:SF4507 2.3 41.3 1.0 S2 A:SF4507 2.3 40.0 1.0 SG A:CYS45 2.5 39.6 1.0 FE2 A:SF4507 2.7 38.7 1.0 FE3 A:SF4507 2.7 36.2 1.0 FE4 A:SF4507 2.7 39.5 1.0 HG A:CYS45 2.9 39.6 0.0 HD2 A:PRO46 2.9 47.2 1.0 HB2 A:CYS45 3.2 36.3 1.0 HA A:CYS45 3.3 38.2 1.0 CB A:CYS45 3.3 36.3 1.0 HB2 A:ALA49 3.7 49.5 1.0 HG13 A:ILE50 3.7 41.6 1.0 CA A:CYS45 3.8 38.2 1.0 CD A:PRO46 3.9 47.2 1.0 S1 A:SF4507 3.9 34.0 1.0 HG1 A:THR47 4.1 46.8 0.0 HD12 A:ILE50 4.1 42.9 1.0 HD3 A:PRO46 4.1 47.2 1.0 HB3 A:CYS45 4.2 36.3 1.0 H A:ALA49 4.3 49.3 1.0 HG A:CYS72 4.4 40.0 0.0 H A:THR47 4.4 45.5 1.0 HA A:CYS66 4.5 43.0 1.0 CG1 A:ILE50 4.5 41.6 1.0 HB3 A:CYS72 4.5 34.0 1.0 OG1 A:THR47 4.6 46.8 1.0 N A:PRO46 4.6 46.6 1.0 C A:CYS45 4.6 51.3 1.0 SG A:CYS66 4.6 36.5 1.0 CB A:ALA49 4.6 49.5 1.0 CD1 A:ILE50 4.7 42.9 1.0 SG A:CYS69 4.7 36.3 1.0 H A:ILE67 4.7 37.4 1.0 HG12 A:ILE50 4.7 41.6 1.0 SG A:CYS72 4.7 40.0 1.0 HD11 A:ILE50 4.8 42.9 1.0 HG2 A:PRO46 4.8 47.4 1.0 HB1 A:ALA49 4.8 49.5 1.0 CG A:PRO46 4.9 47.4 1.0 H A:CYS72 4.9 33.7 1.0 N A:CYS45 5.0 38.9 1.0 HG A:CYS69 5.0 36.3 0.0

Iron binding site 8 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:38.7 occ:1.00 FE2 A:SF4507 0.0 38.7 1.0 HG A:CYS72 2.2 40.0 0.0 S3 A:SF4507 2.2 41.3 1.0 S4 A:SF4507 2.3 35.0 1.0 SG A:CYS72 2.3 40.0 1.0 S1 A:SF4507 2.4 34.0 1.0 FE1 A:SF4507 2.7 37.0 1.0 FE4 A:SF4507 2.7 39.5 1.0 FE3 A:SF4507 2.7 36.2 1.0 HB3 A:CYS72 3.2 34.0 1.0 H A:CYS72 3.3 33.7 1.0 CB A:CYS72 3.4 34.0 1.0 HG21 A:VAL28 3.5 50.2 1.0 HD12 A:ILE50 3.5 42.9 1.0 H A:GLY70 3.8 36.2 1.0 S2 A:SF4507 3.9 40.0 1.0 HA2 A:GLY70 4.1 32.2 1.0 HB2 A:CYS72 4.1 34.0 1.0 N A:CYS72 4.1 33.7 1.0 HD12 A:ILE60 4.2 45.7 1.0 HD13 A:ILE60 4.2 45.7 1.0 H A:GLN71 4.3 32.6 1.0 CG2 A:VAL28 4.4 50.2 1.0 CA A:CYS72 4.4 37.3 1.0 H A:LEU73 4.4 36.6 1.0 CD1 A:ILE50 4.5 42.9 1.0 HG22 A:VAL28 4.5 50.2 1.0 N A:GLY70 4.5 36.2 1.0 SG A:CYS66 4.5 36.5 1.0 HG13 A:ILE50 4.5 41.6 1.0 HB2 A:CYS45 4.6 36.3 1.0 SG A:CYS69 4.6 36.3 1.0 CA A:GLY70 4.7 32.2 1.0 CD1 A:ILE60 4.7 45.7 1.0 N A:GLN71 4.7 32.6 1.0 HG23 A:VAL28 4.8 50.2 1.0 H A:CYS69 4.8 31.9 1.0 HG12 A:ILE50 4.8 41.6 1.0 HG A:CYS66 4.8 36.5 0.0 HD11 A:ILE50 4.9 42.9 1.0 CG1 A:ILE50 4.9 41.6 1.0 SG A:CYS45 4.9 39.6 1.0 HA A:CYS45 4.9 38.2 1.0 HG13 A:VAL28 4.9 54.0 1.0 C A:GLY70 5.0 31.4 1.0

Iron binding site 9 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:36.2 occ:1.00 FE3 A:SF4507 0.0 36.2 1.0 S2 A:SF4507 2.3 40.0 1.0 SG A:CYS69 2.3 36.3 1.0 S1 A:SF4507 2.3 34.0 1.0 S4 A:SF4507 2.3 35.0 1.0 FE1 A:SF4507 2.7 37.0 1.0 FE4 A:SF4507 2.7 39.5 1.0 FE2 A:SF4507 2.7 38.7 1.0 H A:CYS69 2.8 31.9 1.0 H A:GLY70 3.0 36.2 1.0 HG A:CYS69 3.0 36.3 0.0 H A:GLN71 3.5 32.6 1.0 N A:CYS69 3.5 31.9 1.0 CB A:CYS69 3.6 36.1 1.0 HD2 A:PRO46 3.6 47.2 1.0 N A:GLY70 3.7 36.2 1.0 HB3 A:CYS69 3.7 36.1 1.0 S3 A:SF4507 3.9 41.3 1.0 CA A:CYS69 3.9 36.8 1.0 HG13 A:ILE67 4.0 35.1 1.0 HD3 A:PRO46 4.0 47.2 1.0 H A:ASN68 4.0 37.4 1.0 H A:ILE67 4.1 37.4 1.0 H A:CYS72 4.2 33.7 1.0 CD A:PRO46 4.2 47.2 1.0 C A:CYS69 4.3 34.3 1.0 N A:GLN71 4.3 32.6 1.0 HA A:CYS45 4.3 38.2 1.0 HG12 A:ILE67 4.4 35.1 1.0 HB2 A:CYS69 4.4 36.1 1.0 HB2 A:GLN71 4.4 35.1 1.0 N A:ASN68 4.5 37.4 1.0 SG A:CYS66 4.5 36.5 1.0 HA2 A:GLY70 4.6 32.2 1.0 C A:ASN68 4.6 31.8 1.0 CA A:GLY70 4.6 32.2 1.0 HG3 A:PRO46 4.6 47.4 1.0 CG1 A:ILE67 4.7 35.1 1.0 SG A:CYS72 4.7 40.0 1.0 HA A:ASN68 4.8 34.7 1.0 CG A:PRO46 4.8 47.4 1.0 HA A:CYS69 4.9 36.8 1.0 N A:ILE67 4.9 37.4 1.0 SG A:CYS45 4.9 39.6 1.0 CA A:ASN68 4.9 34.7 1.0 HG2 A:PRO46 4.9 47.4 1.0 HG A:CYS72 4.9 40.0 0.0 C A:GLY70 5.0 31.4 1.0

Iron binding site 10 out of 28 in the Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Desulfovibrio Desulfuricans [Fefe]-Hydrogenase Variant with Both Subunits Linked By A 13 Amino Acid Linker Peptide Derived From A Group A1 Type [Fefe]-Hydrogenase of Solobacterium Moorei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:39.5 occ:1.00 FE4 A:SF4507 0.0 39.5 1.0 SG A:CYS66 2.0 36.5 1.0 S2 A:SF4507 2.3 40.0 1.0 S3 A:SF4507 2.3 41.3 1.0 S1 A:SF4507 2.3 34.0 1.0 FE1 A:SF4507 2.7 37.0 1.0 FE2 A:SF4507 2.7 38.7 1.0 FE3 A:SF4507 2.7 36.2 1.0 HG A:CYS66 2.8 36.5 0.0 H A:ASN68 3.2 37.4 1.0 HA A:CYS66 3.3 43.0 1.0 CB A:CYS66 3.3 41.5 1.0 H A:ILE67 3.4 37.4 1.0 HB2 A:CYS66 3.5 41.5 1.0 HG21 A:VAL28 3.8 50.2 1.0 CA A:CYS66 3.8 43.0 1.0 H A:CYS69 3.8 31.9 1.0 S4 A:SF4507 3.9 35.0 1.0 N A:ILE67 4.0 37.4 1.0 N A:ASN68 4.0 37.4 1.0 HA A:ASN68 4.1 34.7 1.0 HB3 A:CYS66 4.1 41.5 1.0 HB2 A:ALA49 4.2 49.5 1.0 HG23 A:VAL28 4.2 50.2 1.0 HD13 A:ILE60 4.2 45.7 1.0 H A:GLY70 4.3 36.2 1.0 C A:CYS66 4.3 33.8 1.0 CG2 A:VAL28 4.3 50.2 1.0 HG22 A:VAL28 4.5 50.2 1.0 HG A:CYS72 4.5 40.0 0.0 HG21 A:ILE60 4.5 48.7 1.0 CA A:ASN68 4.6 34.7 1.0 N A:CYS69 4.6 31.9 1.0 SG A:CYS72 4.8 40.0 1.0 HD2 A:PRO46 4.9 47.2 1.0 SG A:CYS45 4.9 39.6 1.0 SG A:CYS69 5.0 36.3 1.0 CB A:ALA49 5.0 49.5 1.0 HG22 A:ILE60 5.0 48.7 1.0 HG13 A:ILE67 5.0 35.1 1.0

K.Bikbaev, J.Jaenecke, M.Winkler, I.Span. Enhancing Maturation of [Fefe]-Hydrogenase By Interlinking the Large and Small Subunits To Be Published.