Iron in PDB 6z9g: Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2

All present enzymatic activity of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2:
1.12.7.2;

The structure of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2, PDB code: 6z9g was solved by S.Zacarias, A.Temporao, P.Carpentier, P.Van Der Linden, I.A.C.Pereira, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.20 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	120.306, 93.815, 126.951, 90.00, 105.20, 90.00
R / Rfree (%)	19.2 / 24

The structure of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Chlorine	(Cl)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 72;

Binding sites:

The binding sites of Iron atom in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 (pdb code 6z9g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 72 binding sites of Iron where determined in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2, PDB code: 6z9g:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.5 occ:1.00 FE1 A:SF4301 0.0 20.5 1.0 S2 A:SF4301 2.3 25.2 1.0 S4 A:SF4301 2.3 17.8 1.0 S3 A:SF4301 2.3 26.8 1.0 SG A:CYS238 2.3 22.9 1.0 FE2 A:SF4301 2.7 22.3 1.0 FE3 A:SF4301 2.7 20.1 1.0 FE4 A:SF4301 2.8 25.2 1.0 HB3 A:CYS238 2.9 33.7 1.0 CB A:CYS238 3.2 28.1 1.0 HD3 A:PRO241 3.2 47.4 1.0 HB2 A:CYS238 3.5 33.7 1.0 HA3 A:GLY240 3.7 40.6 1.0 HB2 A:ARG233 3.7 23.8 1.0 H A:GLY240 3.9 22.5 1.0 S1 A:SF4301 3.9 24.8 1.0 HG13 A:VAL260 3.9 30.3 1.0 HG11 A:VAL260 4.0 30.3 1.0 H A:ARG233 4.1 42.2 1.0 CD A:PRO241 4.1 39.5 1.0 HD2 A:PRO241 4.3 47.4 1.0 HG22 A:VAL260 4.4 30.2 1.0 HA A:TYR234 4.4 30.8 1.0 CG1 A:VAL260 4.4 25.2 1.0 ND1 A:HIS208 4.5 43.6 1.0 N A:GLY240 4.5 18.7 1.0 CA A:GLY240 4.5 33.8 1.0 CA A:CYS238 4.5 28.0 1.0 HG21 A:VAL260 4.6 30.2 1.0 CB A:ARG233 4.6 19.9 1.0 SG A:CYS232 4.6 25.5 1.0 HB2 A:TYR234 4.6 35.5 1.0 N A:TYR234 4.7 23.0 1.0 C A:CYS238 4.8 22.3 1.0 HG3 A:PRO241 4.8 22.8 1.0 N A:ARG233 4.8 35.1 1.0 H A:TYR234 4.8 27.6 1.0 HB2 A:HIS208 4.8 36.6 1.0 C A:ARG233 4.8 25.1 1.0 SG A:CYS211 4.9 26.2 1.0 O A:CYS238 4.9 25.0 1.0 CG2 A:VAL260 4.9 25.2 1.0 HB3 A:ARG233 4.9 23.8 1.0 HA A:HIS208 4.9 33.1 1.0 HD1 A:TYR234 4.9 28.3 1.0 CG A:PRO241 5.0 18.9 1.0 HA A:CYS238 5.0 33.7 1.0 CA A:ARG233 5.0 23.3 1.0

Iron binding site 2 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:22.3 occ:1.00 FE2 A:SF4301 0.0 22.3 1.0 ND1 A:HIS208 1.9 43.6 1.0 S3 A:SF4301 2.3 26.8 1.0 S4 A:SF4301 2.3 17.8 1.0 S1 A:SF4301 2.3 24.8 1.0 FE1 A:SF4301 2.7 20.5 1.0 FE4 A:SF4301 2.7 25.2 1.0 CE1 A:HIS208 2.7 33.5 1.0 FE3 A:SF4301 2.7 20.1 1.0 HE1 A:HIS208 2.8 40.2 1.0 HD3 A:PRO241 3.0 47.4 1.0 CG A:HIS208 3.1 40.3 1.0 HG3 A:PRO241 3.3 22.8 1.0 HB2 A:HIS208 3.3 36.6 1.0 HA A:HIS208 3.3 33.1 1.0 CB A:HIS208 3.6 30.5 1.0 CD A:PRO241 3.8 39.5 1.0 S2 A:SF4301 3.8 25.2 1.0 NE2 A:HIS208 3.9 30.5 1.0 CG A:PRO241 3.9 18.9 1.0 CA A:HIS208 4.0 27.6 1.0 HB3 A:CYS211 4.0 29.0 1.0 CD2 A:HIS208 4.1 40.9 1.0 HB2 A:CYS211 4.2 29.0 1.0 HA3 A:GLY240 4.2 40.6 1.0 HG2 A:PRO241 4.3 22.8 1.0 HB2 A:TYR217 4.4 38.3 1.0 CB A:CYS211 4.5 24.1 1.0 HD2 A:PRO241 4.5 47.4 1.0 HD13 A:LEU214 4.5 39.2 1.0 HB3 A:HIS208 4.5 36.6 1.0 HD1 A:TYR217 4.5 47.9 1.0 N A:PRO241 4.6 31.4 1.0 HE2 A:HIS208 4.6 36.6 1.0 SG A:CYS232 4.6 25.5 1.0 CD1 A:TYR217 4.7 39.9 1.0 O A:HIS208 4.7 33.6 1.0 SG A:CYS211 4.7 26.2 1.0 SG A:CYS238 4.7 22.9 1.0 C A:HIS208 4.8 27.7 1.0 HB2 A:TYR234 4.8 35.5 1.0 HA A:LEU214 4.9 34.5 1.0 HD12 A:LEU214 4.9 39.2 1.0 CG A:TYR217 4.9 39.5 1.0 HD2 A:HIS208 5.0 49.1 1.0 HA A:PRO241 5.0 31.8 1.0 CA A:GLY240 5.0 33.8 1.0 C A:GLY240 5.0 31.5 1.0

Iron binding site 3 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.1 occ:1.00 FE3 A:SF4301 0.0 20.1 1.0 SG A:CYS232 2.3 25.5 1.0 S4 A:SF4301 2.3 17.8 1.0 S2 A:SF4301 2.3 25.2 1.0 S1 A:SF4301 2.3 24.8 1.0 FE2 A:SF4301 2.7 22.3 1.0 FE1 A:SF4301 2.7 20.5 1.0 FE4 A:SF4301 2.8 25.2 1.0 H A:ARG233 3.1 42.2 1.0 HB2 A:TYR217 3.2 38.3 1.0 CB A:CYS232 3.5 27.2 1.0 HB2 A:CYS232 3.6 32.7 1.0 HB2 A:TYR234 3.7 35.5 1.0 HD1 A:TYR217 3.7 47.9 1.0 H A:TYR234 3.7 27.6 1.0 HA A:CYS232 3.7 22.2 1.0 N A:ARG233 3.7 35.1 1.0 HB2 A:TYR213 3.8 25.1 1.0 HE1 A:HIS208 3.9 40.2 1.0 S3 A:SF4301 3.9 26.8 1.0 CA A:CYS232 4.0 18.5 1.0 N A:TYR234 4.1 23.0 1.0 CB A:TYR217 4.2 31.9 1.0 ND1 A:HIS208 4.3 43.6 1.0 HB2 A:ARG233 4.3 23.8 1.0 C A:CYS232 4.3 28.8 1.0 HB3 A:CYS232 4.3 32.7 1.0 CD1 A:TYR217 4.3 39.9 1.0 CE1 A:HIS208 4.4 33.5 1.0 HB3 A:CYS238 4.5 33.7 1.0 O A:TYR213 4.5 22.8 1.0 CB A:TYR234 4.5 29.5 1.0 HB3 A:TYR217 4.6 38.3 1.0 HB3 A:TYR213 4.6 25.1 1.0 CB A:TYR213 4.6 20.9 1.0 CG A:TYR217 4.6 39.5 1.0 HA A:TYR234 4.7 30.8 1.0 CA A:ARG233 4.7 23.3 1.0 CA A:TYR234 4.7 25.6 1.0 C A:ARG233 4.7 25.1 1.0 HD3 A:ARG233 4.8 27.9 1.0 HB3 A:TYR234 4.9 35.5 1.0 HA A:LEU214 4.9 34.5 1.0 HD3 A:PRO241 4.9 47.4 1.0 SG A:CYS238 4.9 22.9 1.0 SG A:CYS211 4.9 26.2 1.0 C A:TYR213 4.9 24.7 1.0 HA A:TYR217 4.9 40.5 1.0 H A:TYR217 5.0 28.5 1.0 CB A:ARG233 5.0 19.9 1.0

Iron binding site 4 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:25.2 occ:1.00 FE4 A:SF4301 0.0 25.2 1.0 S3 A:SF4301 2.3 26.8 1.0 S1 A:SF4301 2.3 24.8 1.0 SG A:CYS211 2.3 26.2 1.0 S2 A:SF4301 2.3 25.2 1.0 FE2 A:SF4301 2.7 22.3 1.0 FE1 A:SF4301 2.8 20.5 1.0 FE3 A:SF4301 2.8 20.1 1.0 HB3 A:CYS211 2.9 29.0 1.0 CB A:CYS211 3.0 24.1 1.0 HB2 A:CYS211 3.0 29.0 1.0 HB2 A:TYR213 3.2 25.1 1.0 HG11 A:VAL260 3.3 30.3 1.0 HD2 A:TYR213 3.7 23.7 1.0 H A:TYR213 3.9 40.4 1.0 HA A:HIS208 3.9 33.1 1.0 S4 A:SF4301 4.0 17.8 1.0 CG1 A:VAL260 4.1 25.2 1.0 HG13 A:VAL260 4.2 30.3 1.0 CB A:TYR213 4.2 20.9 1.0 ND1 A:HIS208 4.2 43.6 1.0 CA A:CYS211 4.4 30.0 1.0 HG12 A:VAL260 4.5 30.3 1.0 CD2 A:TYR213 4.5 19.7 1.0 C A:TYR213 4.6 24.7 1.0 HG21 A:VAL260 4.6 30.2 1.0 N A:TYR213 4.6 33.7 1.0 H A:ARG233 4.7 42.2 1.0 CA A:TYR213 4.7 33.9 1.0 HB3 A:TYR213 4.7 25.1 1.0 SG A:CYS238 4.8 22.9 1.0 HA A:CYS211 4.8 36.0 1.0 HG22 A:ILE207 4.8 33.2 1.0 HA A:LEU214 4.8 34.5 1.0 N A:LEU214 4.8 22.7 1.0 HE1 A:HIS208 4.8 40.2 1.0 CG A:TYR213 4.9 26.2 1.0 CA A:HIS208 4.9 27.6 1.0 CE1 A:HIS208 4.9 33.5 1.0 O A:TYR213 4.9 22.8 1.0 C A:CYS211 4.9 29.7 1.0 H A:LEU214 5.0 27.3 1.0 HD3 A:PRO241 5.0 47.4 1.0 SG A:CYS232 5.0 25.5 1.0 HH2 A:TRP258 5.0 17.2 1.0 HD3 A:ARG233 5.0 27.9 1.0 HA3 A:GLY240 5.0 40.6 1.0

Iron binding site 5 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:18.3 occ:1.00 FE1 A:SF4302 0.0 18.3 1.0 S4 A:SF4302 2.3 14.6 1.0 S2 A:SF4302 2.3 20.4 1.0 S3 A:SF4302 2.3 11.7 1.0 SG A:CYS268 2.4 22.8 1.0 FE4 A:SF4302 2.7 19.7 1.0 FE3 A:SF4302 2.8 15.3 1.0 FE2 A:SF4302 2.8 13.9 1.0 H A:CYS268 3.0 29.6 1.0 HB3 A:CYS268 3.5 21.9 1.0 CB A:CYS268 3.5 18.2 1.0 HH22 B:ARG182 3.7 18.4 1.0 HG13 A:VAL269 3.8 25.0 1.0 N A:CYS268 3.8 24.6 1.0 HH12 B:ARG182 3.9 25.5 1.0 S1 A:SF4302 3.9 16.7 1.0 NH2 B:ARG182 4.0 15.3 1.0 H A:VAL269 4.1 15.2 1.0 NH1 B:ARG182 4.1 21.2 1.0 CA A:CYS268 4.2 27.1 1.0 CZ B:ARG182 4.2 20.3 1.0 HB2 A:CYS268 4.4 21.9 1.0 HH21 B:ARG182 4.4 18.4 1.0 N A:VAL269 4.5 12.8 1.0 HH2 A:TRP165 4.5 17.0 1.0 H A:GLY267 4.6 33.3 1.0 HG22 A:VAL269 4.6 27.4 1.0 HH11 B:ARG182 4.6 25.5 1.0 HZ2 A:TRP252 4.6 14.5 1.0 H A:ILE266 4.6 19.9 1.0 HG21 A:THR243 4.7 33.3 1.0 C A:CYS268 4.7 20.3 1.0 CG1 A:VAL269 4.7 20.8 1.0 SG A:CYS259 4.8 25.5 1.0 SG A:CYS247 4.8 27.6 1.0 HG13 A:ILE266 4.8 22.6 1.0 H A:CYS159 4.8 32.0 1.0 SG A:CYS265 4.8 20.4 1.0 C A:GLY267 4.9 19.9 1.0 HG12 A:ILE266 4.9 22.6 1.0 N A:GLY267 4.9 27.8 1.0 HA2 A:GLY267 5.0 35.1 1.0

Iron binding site 6 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:13.9 occ:1.00 FE2 A:SF4302 0.0 13.9 1.0 SG A:CYS265 2.3 20.4 1.0 S1 A:SF4302 2.3 16.7 1.0 S4 A:SF4302 2.3 14.6 1.0 S3 A:SF4302 2.3 11.7 1.0 FE3 A:SF4302 2.7 15.3 1.0 FE4 A:SF4302 2.7 19.7 1.0 FE1 A:SF4302 2.8 18.3 1.0 HA A:CYS265 3.3 36.9 1.0 CB A:CYS265 3.3 28.1 1.0 HB2 A:CYS265 3.4 33.8 1.0 H A:GLY267 3.4 33.3 1.0 HG21 A:THR243 3.4 33.3 1.0 HD12 A:ILE207 3.5 39.9 1.0 H A:ILE266 3.6 19.9 1.0 HD11 A:ILE207 3.7 39.9 1.0 HD13 A:ILE207 3.7 39.9 1.0 CA A:CYS265 3.8 30.7 1.0 CD1 A:ILE207 3.8 33.2 1.0 H A:CYS268 3.9 29.6 1.0 S2 A:SF4302 3.9 20.4 1.0 HB2 A:CYS259 4.0 28.5 1.0 N A:ILE266 4.1 16.6 1.0 N A:GLY267 4.1 27.8 1.0 HB3 A:CYS265 4.2 33.8 1.0 HA2 A:GLY267 4.2 35.1 1.0 CG2 A:THR243 4.4 27.7 1.0 C A:CYS265 4.4 20.1 1.0 HG22 A:THR243 4.6 33.3 1.0 SG A:CYS259 4.6 25.5 1.0 CA A:GLY267 4.7 29.3 1.0 N A:CYS268 4.7 24.6 1.0 CB A:CYS259 4.7 23.7 1.0 HG23 A:THR243 4.9 33.3 1.0 HB3 A:CYS259 4.9 28.5 1.0 SG A:CYS247 4.9 27.6 1.0 HB2 A:CYS247 5.0 38.1 1.0 SG A:CYS268 5.0 22.8 1.0

Iron binding site 7 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:15.3 occ:1.00 FE3 A:SF4302 0.0 15.3 1.0 SG A:CYS259 2.2 25.5 1.0 S4 A:SF4302 2.3 14.6 1.0 S2 A:SF4302 2.3 20.4 1.0 S1 A:SF4302 2.3 16.7 1.0 FE2 A:SF4302 2.7 13.9 1.0 FE1 A:SF4302 2.8 18.3 1.0 FE4 A:SF4302 2.8 19.7 1.0 HB2 A:CYS259 2.9 28.5 1.0 CB A:CYS259 3.1 23.7 1.0 HE21 B:GLN187 3.4 16.2 1.0 HB3 A:CYS259 3.5 28.5 1.0 HA A:CYS265 3.9 36.9 1.0 H A:CYS259 3.9 23.8 1.0 S3 A:SF4302 3.9 11.7 1.0 CZ B:ARG182 4.1 20.3 1.0 NE2 B:GLN187 4.2 13.5 1.0 HD3 B:ARG182 4.2 17.8 1.0 NE B:ARG182 4.2 17.7 1.0 HE1 A:TRP252 4.2 23.6 1.0 NH2 B:ARG182 4.3 15.3 1.0 HE B:ARG182 4.3 21.3 1.0 H A:ILE266 4.3 19.9 1.0 HH21 B:ARG182 4.4 18.4 1.0 HE22 B:GLN187 4.4 16.2 1.0 CA A:CYS259 4.4 20.9 1.0 N A:CYS259 4.5 19.8 1.0 NH1 B:ARG182 4.5 21.2 1.0 HH22 B:ARG182 4.6 18.4 1.0 NE1 A:TRP252 4.6 19.6 1.0 SG A:CYS265 4.7 20.4 1.0 SG A:CYS247 4.7 27.6 1.0 HB2 A:CYS265 4.7 33.8 1.0 CD B:ARG182 4.7 14.8 1.0 HG3 B:GLN187 4.8 21.6 1.0 CA A:CYS265 4.8 30.7 1.0 HG12 A:ILE266 4.8 22.6 1.0 HH11 B:ARG182 4.8 25.5 1.0 SG A:CYS268 4.8 22.8 1.0 HH12 B:ARG182 4.8 25.5 1.0 HB3 A:CYS247 4.8 38.1 1.0 HA A:CYS259 4.9 25.1 1.0 HG2 B:ARG182 4.9 16.9 1.0 CB A:CYS265 5.0 28.1 1.0

Iron binding site 8 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:19.7 occ:1.00 FE4 A:SF4302 0.0 19.7 1.0 S3 A:SF4302 2.3 11.7 1.0 S1 A:SF4302 2.3 16.7 1.0 S2 A:SF4302 2.3 20.4 1.0 SG A:CYS247 2.3 27.6 1.0 FE2 A:SF4302 2.7 13.9 1.0 FE1 A:SF4302 2.7 18.3 1.0 FE3 A:SF4302 2.8 15.3 1.0 HD11 A:ILE207 3.3 39.9 1.0 HB2 A:CYS247 3.3 38.1 1.0 CB A:CYS247 3.3 31.7 1.0 HE1 A:TRP252 3.4 23.6 1.0 HB3 A:CYS247 3.5 38.1 1.0 HH2 A:TRP165 3.7 17.0 1.0 HB3 A:ALA245 3.8 46.9 1.0 HD13 A:ILE207 3.8 39.9 1.0 S4 A:SF4302 3.9 14.6 1.0 CD1 A:ILE207 3.9 33.2 1.0 NE1 A:TRP252 4.2 19.6 1.0 HB1 A:ALA245 4.3 46.9 1.0 HD12 A:ILE207 4.3 39.9 1.0 HZ2 A:TRP252 4.4 14.5 1.0 CB A:ALA245 4.4 39.1 1.0 H A:CYS247 4.5 48.3 1.0 CH2 A:TRP165 4.6 14.1 1.0 HB2 A:ALA245 4.6 46.9 1.0 HG13 A:VAL269 4.6 25.0 1.0 SG A:CYS259 4.7 25.5 1.0 HG21 A:THR243 4.7 33.3 1.0 HE3 A:TRP258 4.7 16.9 1.0 CA A:CYS247 4.7 30.1 1.0 HZ2 A:TRP165 4.8 21.1 1.0 HB2 A:CYS259 4.8 28.5 1.0 SG A:CYS265 4.8 20.4 1.0 SG A:CYS268 4.9 22.8 1.0 CE2 A:TRP252 5.0 17.2 1.0 CZ2 A:TRP252 5.0 12.2 1.0

Iron binding site 9 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:12.5 occ:0.42 FE1 A:SF4303 0.0 12.5 0.4 FE1 A:6ML304 0.1 12.8 0.6 O12 A:6ML304 1.8 15.5 0.6 S3 A:6ML304 2.2 11.6 0.6 S2 A:SF4303 2.3 12.1 0.4 S3 A:SF4303 2.3 14.1 0.4 SG A:CYS18 2.3 15.2 1.0 S4 A:SF4303 2.3 11.1 0.4 S2 A:6ML304 2.4 11.7 0.6 FE4 A:SF4303 2.6 11.5 0.4 FE3 A:6ML304 2.7 14.0 0.6 FE3 A:SF4303 2.7 13.9 0.4 FE2 A:SF4303 2.9 14.7 0.4 H A:CYS18 2.9 12.6 1.0 FE4 A:6ML304 3.0 14.5 0.6 FE2 A:6ML304 3.1 10.8 0.6 HB3 A:CYS18 3.1 12.0 1.0 H A:GLY20 3.2 13.2 1.0 CB A:CYS18 3.2 9.9 1.0 HE2 B:HIS185 3.4 12.8 1.0 O24 A:6ML304 3.4 10.0 0.6 N A:CYS18 3.6 10.5 1.0 HA3 A:GLY20 3.7 15.8 1.0 CA A:CYS18 3.9 8.8 1.0 S1 A:SF4303 3.9 15.6 0.4 N A:GLY20 3.9 11.0 1.0 S4 A:6ML304 4.0 15.1 0.6 S1 A:6ML304 4.0 11.7 0.6 HB2 A:CYS18 4.1 12.0 1.0 HG3 B:ARG73 4.1 16.1 1.0 NE2 B:HIS185 4.2 10.6 1.0 C A:CYS18 4.3 11.6 1.0 CA A:GLY20 4.3 13.2 1.0 OE2 A:GLU77 4.4 32.9 0.6 H A:THR19 4.4 13.3 1.0 HA2 A:GLY17 4.5 14.9 1.0 N A:THR19 4.5 11.1 1.0 HA B:ARG73 4.5 18.0 1.0 O B:HOH677 4.6 14.6 1.0 HB3 B:ARG73 4.7 14.0 1.0 HA A:CYS18 4.8 10.6 1.0 C A:GLY17 4.8 15.5 1.0 O B:ARG73 4.8 8.7 1.0 SG A:CYS21 4.8 14.7 0.4 SG A:CYS159 4.8 17.4 1.0 N A:CYS21 4.8 15.1 0.6 CG B:ARG73 4.9 13.4 1.0 N A:CYS21 4.9 15.1 0.4 O A:CYS18 4.9 10.1 1.0 HG2 B:ARG73 5.0 16.1 1.0 SG A:CYS121 5.0 15.0 1.0 C A:GLY20 5.0 13.9 1.0 OE2 A:GLU77 5.0 32.8 0.4 HA3 B:GLY76 5.0 16.3 1.0

Iron binding site 10 out of 72 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Oxygen Gas - Structure G491A- O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:14.7 occ:0.42 FE2 A:SF4303 0.0 14.7 0.4 FE4 A:6ML304 0.2 14.5 0.6 O24 A:6ML304 1.8 10.0 0.6 S3 A:6ML304 2.2 11.6 0.6 S4 A:SF4303 2.3 11.1 0.4 S1 A:SF4303 2.3 15.6 0.4 S3 A:SF4303 2.3 14.1 0.4 S4 A:6ML304 2.3 15.1 0.6 SG A:CYS121 2.4 15.0 1.0 FE3 A:6ML304 2.7 14.0 0.6 FE3 A:SF4303 2.7 13.9 0.4 FE4 A:SF4303 2.7 11.5 0.4 FE1 A:SF4303 2.9 12.5 0.4 FE1 A:6ML304 3.0 12.8 0.6 FE2 A:6ML304 3.0 10.8 0.6 HB2 A:CYS121 3.1 19.6 1.0 O12 A:6ML304 3.3 15.5 0.6 CB A:CYS121 3.3 16.3 1.0 H A:CYS121 3.4 19.8 1.0 HA2 A:GLY17 3.9 14.9 1.0 S2 A:SF4303 4.0 12.1 0.4 S1 A:6ML304 4.0 11.7 0.6 H A:CYS18 4.0 12.6 1.0 S2 A:6ML304 4.0 11.7 0.6 HB3 A:CYS121 4.0 19.6 1.0 O B:HOH677 4.1 14.6 1.0 N A:CYS121 4.1 16.4 1.0 O A:HOH473 4.1 20.8 1.0 HA2 A:GLY78 4.2 17.7 1.0 CA A:CYS121 4.3 17.3 1.0 HA3 A:GLY119 4.6 17.8 1.0 H A:GLY78 4.6 15.5 1.0 SG A:CYS159 4.7 17.4 1.0 N A:CYS18 4.7 10.5 1.0 SG A:CYS21 4.8 14.7 0.4 HG3 A:GLU77 4.8 30.8 0.6 CA A:GLY17 4.8 12.4 1.0 HA A:CYS121 4.8 20.8 1.0 H A:THR120 4.8 16.1 1.0 HB3 A:CYS18 4.9 12.0 1.0 O A:GLN16 4.9 18.3 1.0 HA A:CYS159 5.0 17.6 1.0 HA3 A:GLY17 5.0 14.9 1.0 H A:ALA122 5.0 24.0 1.0

S.Zacarias, A.Temporao, P.Carpentier, P.Van Der Linden, I.A.C.Pereira, P.M.Matias. Exploring the Gas Access Routes in A [Nifese] Hydrogenase Using Crystals Pressurized with Krypton and Oxygen. J.Biol.Inorg.Chem. V. 25 863 2020.
ISSN: ESSN 1432-1327
PubMed: 32865640
DOI: 10.1007/S00775-020-01814-Y