Iron in PDB 6z7r: Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1

All present enzymatic activity of Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1:
1.12.7.2;

The structure of Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1, PDB code: 6z7r 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)	58.05 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.125, 93.686, 98.433, 90.00, 93.26, 90.00
R / Rfree (%)	18.8 / 24.2

The structure of Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Krypton	(Kr)	42 atoms
Chlorine	(Cl)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Iron atom in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 (pdb code 6z7r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1, PDB code: 6z7r:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:32.7 occ:1.00 FE1 A:SF4301 0.0 32.7 1.0 S2 A:SF4301 2.3 38.3 1.0 S3 A:SF4301 2.3 36.0 1.0 S4 A:SF4301 2.3 37.9 1.0 SG A:CYS238 2.4 28.3 1.0 FE2 A:SF4301 2.7 35.4 1.0 FE4 A:SF4301 2.7 29.9 1.0 FE3 A:SF4301 2.8 32.4 1.0 HB3 A:CYS238 2.8 27.5 1.0 CB A:CYS238 3.1 22.8 1.0 HD3 A:PRO241 3.4 51.8 1.0 HB2 A:CYS238 3.5 27.5 1.0 HA3 A:GLY240 3.8 37.6 1.0 H A:GLY240 3.8 44.4 1.0 S1 A:SF4301 4.0 48.7 1.0 HB2 A:ARG233 4.0 35.0 1.0 HG22 A:VAL260 4.1 26.6 1.0 HG13 A:VAL260 4.2 35.8 1.0 H A:ARG233 4.3 38.2 1.0 CD A:PRO241 4.3 43.1 1.0 HG21 A:VAL260 4.4 26.6 1.0 HG11 A:VAL260 4.4 35.8 1.0 CA A:CYS238 4.4 28.4 1.0 N A:GLY240 4.5 36.9 1.0 HA A:TYR234 4.5 31.6 1.0 HD2 A:PRO241 4.5 51.8 1.0 CA A:GLY240 4.6 31.2 1.0 SG A:CYS211 4.6 37.2 1.0 C A:CYS238 4.6 32.5 1.0 CG2 A:VAL260 4.7 22.0 1.0 SG A:CYS232 4.7 33.1 1.0 CG1 A:VAL260 4.7 29.7 1.0 ND1 A:HIS208 4.8 45.5 1.0 O A:CYS238 4.8 24.5 1.0 N A:TYR234 4.8 28.6 1.0 H A:TYR234 4.8 34.4 1.0 HB2 A:TYR234 4.8 37.6 1.0 HA A:CYS238 4.8 34.2 1.0 HB2 A:CYS211 4.9 56.9 1.0 HD1 A:TYR234 4.9 39.2 1.0 HA A:HIS208 4.9 35.8 1.0 HG22 A:ILE207 4.9 35.7 1.0 CB A:ARG233 4.9 29.0 1.0 N A:ARG233 5.0 31.7 1.0

Iron binding site 2 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:35.4 occ:1.00 FE2 A:SF4301 0.0 35.4 1.0 ND1 A:HIS208 2.1 45.5 1.0 S1 A:SF4301 2.3 48.7 1.0 S3 A:SF4301 2.3 36.0 1.0 S4 A:SF4301 2.3 37.9 1.0 FE4 A:SF4301 2.6 29.9 1.0 FE1 A:SF4301 2.7 32.7 1.0 FE3 A:SF4301 2.8 32.4 1.0 CE1 A:HIS208 2.9 37.2 1.0 HE1 A:HIS208 3.0 44.8 1.0 HD3 A:PRO241 3.1 51.8 1.0 HA A:HIS208 3.2 35.8 1.0 CG A:HIS208 3.3 31.5 1.0 HB2 A:HIS208 3.5 46.4 1.0 HG3 A:PRO241 3.6 58.1 1.0 CB A:HIS208 3.7 38.5 1.0 CA A:HIS208 3.9 29.7 1.0 S2 A:SF4301 3.9 38.3 1.0 CD A:PRO241 3.9 43.1 1.0 HB3 A:CYS211 3.9 56.9 1.0 HA3 A:GLY240 4.0 37.6 1.0 NE2 A:HIS208 4.1 39.0 1.0 HB2 A:CYS211 4.1 56.9 1.0 CG A:PRO241 4.2 48.3 1.0 CD2 A:HIS208 4.3 28.0 1.0 HD13 A:LEU214 4.3 45.0 1.0 HD1 A:TYR217 4.4 55.0 1.0 HB2 A:TYR217 4.4 53.3 1.0 CB A:CYS211 4.4 47.3 1.0 N A:PRO241 4.6 33.5 1.0 HD2 A:PRO241 4.6 51.8 1.0 HB3 A:HIS208 4.7 46.4 1.0 CD1 A:TYR217 4.7 45.7 1.0 O A:HIS208 4.7 44.3 1.0 HG2 A:PRO241 4.7 58.1 1.0 SG A:CYS211 4.7 37.2 1.0 C A:HIS208 4.8 32.8 1.0 HD1 A:TYR234 4.8 39.2 1.0 HD12 A:LEU214 4.8 45.0 1.0 SG A:CYS232 4.8 33.1 1.0 CA A:GLY240 4.9 31.2 1.0 HB3 A:CYS238 4.9 27.5 1.0 HE2 A:HIS208 4.9 46.9 1.0 SG A:CYS238 4.9 28.3 1.0 N A:HIS208 4.9 26.7 1.0 C A:GLY240 5.0 26.3 1.0 HA A:LEU214 5.0 41.9 1.0 HG22 A:ILE207 5.0 35.7 1.0

Iron binding site 3 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:32.4 occ:1.00 FE3 A:SF4301 0.0 32.4 1.0 S4 A:SF4301 2.3 37.9 1.0 S1 A:SF4301 2.3 48.7 1.0 S2 A:SF4301 2.3 38.3 1.0 SG A:CYS232 2.3 33.1 1.0 FE4 A:SF4301 2.6 29.9 1.0 FE1 A:SF4301 2.8 32.7 1.0 FE2 A:SF4301 2.8 35.4 1.0 HB2 A:CYS232 3.3 41.9 1.0 HB2 A:TYR217 3.3 53.3 1.0 CB A:CYS232 3.4 34.8 1.0 H A:ARG233 3.4 38.2 1.0 HD1 A:TYR217 3.6 55.0 1.0 HB2 A:TYR234 3.6 37.6 1.0 H A:TYR234 3.7 34.4 1.0 HA A:CYS232 3.8 33.0 1.0 HB2 A:TYR213 3.9 41.6 1.0 S3 A:SF4301 4.0 36.0 1.0 N A:ARG233 4.0 31.7 1.0 CA A:CYS232 4.1 27.4 1.0 N A:TYR234 4.2 28.6 1.0 HE1 A:HIS208 4.2 44.8 1.0 HB3 A:CYS232 4.2 41.9 1.0 CB A:TYR217 4.3 44.3 1.0 CD1 A:TYR217 4.3 45.7 1.0 HB3 A:CYS238 4.4 27.5 1.0 C A:CYS232 4.4 41.6 1.0 CB A:TYR234 4.5 31.2 1.0 ND1 A:HIS208 4.6 45.5 1.0 HA A:TYR234 4.6 31.6 1.0 O A:TYR213 4.6 33.7 1.0 HB2 A:ARG233 4.6 35.0 1.0 SG A:CYS211 4.6 37.2 1.0 HB3 A:TYR213 4.7 41.6 1.0 CA A:TYR234 4.7 26.2 1.0 CB A:TYR213 4.7 34.6 1.0 CE1 A:HIS208 4.7 37.2 1.0 HB3 A:TYR217 4.8 53.3 1.0 CG A:TYR217 4.8 43.1 1.0 HD1 A:TYR234 4.8 39.2 1.0 HB3 A:CYS211 4.8 56.9 1.0 H A:TYR217 4.8 52.5 1.0 C A:ARG233 4.9 26.2 1.0 CA A:ARG233 4.9 28.6 1.0 HA A:LEU214 4.9 41.9 1.0 SG A:CYS238 4.9 28.3 1.0 HB3 A:TYR234 4.9 37.6 1.0 HA A:TYR217 5.0 49.6 1.0 CB A:CYS238 5.0 22.8 1.0

Iron binding site 4 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:29.9 occ:1.00 FE4 A:SF4301 0.0 29.9 1.0 SG A:CYS211 2.3 37.2 1.0 S1 A:SF4301 2.3 48.7 1.0 S2 A:SF4301 2.3 38.3 1.0 S3 A:SF4301 2.4 36.0 1.0 FE3 A:SF4301 2.6 32.4 1.0 FE2 A:SF4301 2.6 35.4 1.0 HB3 A:CYS211 2.6 56.9 1.0 FE1 A:SF4301 2.7 32.7 1.0 CB A:CYS211 2.8 47.3 1.0 HB2 A:CYS211 2.9 56.9 1.0 HB2 A:TYR213 3.3 41.6 1.0 HG11 A:VAL260 3.7 35.8 1.0 S4 A:SF4301 3.8 37.9 1.0 HD2 A:TYR213 4.0 45.3 1.0 HA A:HIS208 4.0 35.8 1.0 H A:TYR213 4.1 57.9 1.0 CB A:TYR213 4.3 34.6 1.0 CA A:CYS211 4.3 48.9 1.0 HG13 A:VAL260 4.4 35.8 1.0 ND1 A:HIS208 4.4 45.5 1.0 CG1 A:VAL260 4.5 29.7 1.0 HG21 A:VAL260 4.5 26.6 1.0 C A:TYR213 4.6 43.6 1.0 HA A:LEU214 4.6 41.9 1.0 HA A:CYS211 4.8 58.8 1.0 CD2 A:TYR213 4.8 37.6 1.0 SG A:CYS238 4.8 28.3 1.0 N A:LEU214 4.8 34.7 1.0 N A:TYR213 4.8 48.1 1.0 HB3 A:TYR213 4.8 41.6 1.0 CA A:TYR213 4.8 45.8 1.0 HG22 A:ILE207 4.8 35.7 1.0 H A:ARG233 4.8 38.2 1.0 O A:TYR213 4.8 33.7 1.0 SG A:CYS232 4.9 33.1 1.0 HB2 A:TYR217 4.9 53.3 1.0 C A:CYS211 4.9 47.9 1.0 H A:LEU214 4.9 41.8 1.0 HE1 A:HIS208 4.9 44.8 1.0 H A:CYS211 5.0 47.1 1.0 HB2 A:CYS232 5.0 41.9 1.0 CA A:HIS208 5.0 29.7 1.0

Iron binding site 5 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:25.4 occ:1.00 FE1 A:SF4302 0.0 25.4 1.0 S2 A:SF4302 2.2 21.9 1.0 S4 A:SF4302 2.3 20.5 1.0 SG A:CYS268 2.3 24.7 1.0 S3 A:SF4302 2.3 23.1 1.0 H A:CYS268 2.7 36.2 1.0 FE2 A:SF4302 2.8 27.3 1.0 FE4 A:SF4302 2.8 24.9 1.0 FE3 A:SF4302 2.8 26.9 1.0 HG13 A:VAL269 3.5 26.6 1.0 HB3 A:CYS268 3.5 28.2 1.0 CB A:CYS268 3.5 23.4 1.0 N A:CYS268 3.5 30.0 1.0 HH22 B:ARG182 3.8 29.1 1.0 S1 A:SF4302 3.9 19.2 1.0 HH12 B:ARG182 4.0 25.2 1.0 CA A:CYS268 4.0 27.2 1.0 H A:VAL269 4.0 30.3 1.0 NH2 B:ARG182 4.0 24.1 1.0 NH1 B:ARG182 4.2 20.9 1.0 HB2 A:CYS268 4.3 28.2 1.0 CZ B:ARG182 4.3 17.9 1.0 H A:GLY267 4.4 30.2 1.0 CG1 A:VAL269 4.4 22.0 1.0 HH21 B:ARG182 4.4 29.1 1.0 N A:VAL269 4.4 25.1 1.0 C A:CYS268 4.6 20.6 1.0 HH2 A:TRP165 4.6 43.5 1.0 C A:GLY267 4.6 30.3 1.0 HG22 A:VAL269 4.6 32.7 1.0 HA2 A:GLY267 4.6 33.4 1.0 HH11 B:ARG182 4.7 25.2 1.0 H A:ILE266 4.7 29.2 1.0 H A:CYS159 4.7 23.5 1.0 HG11 A:VAL269 4.7 26.6 1.0 HG21 A:THR243 4.7 34.4 1.0 N A:GLY267 4.7 25.0 1.0 SG A:CYS247 4.8 38.9 1.0 HG12 A:VAL269 4.8 26.6 1.0 SG A:CYS265 4.8 27.6 1.0 HA2 A:GLY158 4.8 28.3 1.0 HG13 A:ILE266 4.9 30.6 1.0 HA A:CYS268 4.9 32.8 1.0 CA A:GLY267 4.9 27.7 1.0 SG A:CYS259 4.9 26.4 1.0 HZ2 A:TRP252 4.9 23.1 1.0 HG12 A:ILE266 4.9 30.6 1.0

Iron binding site 6 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:27.3 occ:1.00 FE2 A:SF4302 0.0 27.3 1.0 SG A:CYS265 2.2 27.6 1.0 S1 A:SF4302 2.2 19.2 1.0 S3 A:SF4302 2.3 23.1 1.0 S4 A:SF4302 2.3 20.5 1.0 FE4 A:SF4302 2.7 24.9 1.0 FE3 A:SF4302 2.7 26.9 1.0 FE1 A:SF4302 2.8 25.4 1.0 H A:GLY267 3.2 30.2 1.0 HA A:CYS265 3.3 37.6 1.0 CB A:CYS265 3.3 29.2 1.0 HB2 A:CYS265 3.4 35.2 1.0 HG21 A:THR243 3.5 34.4 1.0 H A:CYS268 3.7 36.2 1.0 H A:ILE266 3.7 29.2 1.0 CA A:CYS265 3.8 31.2 1.0 S2 A:SF4302 3.8 21.9 1.0 HA2 A:GLY267 3.8 33.4 1.0 N A:GLY267 3.9 25.0 1.0 HB2 A:CYS259 4.1 26.9 1.0 N A:ILE266 4.1 24.2 1.0 HB3 A:CYS265 4.2 35.2 1.0 HG13 A:ILE207 4.3 31.3 1.0 C A:CYS265 4.3 24.2 1.0 CA A:GLY267 4.3 27.7 1.0 CG2 A:THR243 4.5 28.5 1.0 N A:CYS268 4.5 30.0 1.0 HG22 A:THR243 4.7 34.4 1.0 HD12 A:ILE207 4.7 45.8 1.0 CB A:CYS259 4.8 22.3 1.0 SG A:CYS259 4.9 26.4 1.0 SG A:CYS247 4.9 38.9 1.0 HB3 A:CYS259 4.9 26.9 1.0 C A:GLY267 4.9 30.3 1.0 HD11 A:ILE207 4.9 45.8 1.0 SG A:CYS268 4.9 24.7 1.0 C A:ILE266 4.9 26.0 1.0 HB3 A:ALA245 5.0 27.0 1.0

Iron binding site 7 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:26.9 occ:1.00 FE3 A:SF4302 0.0 26.9 1.0 S1 A:SF4302 2.3 19.2 1.0 S2 A:SF4302 2.3 21.9 1.0 S4 A:SF4302 2.3 20.5 1.0 SG A:CYS259 2.3 26.4 1.0 FE2 A:SF4302 2.7 27.3 1.0 HB2 A:CYS259 2.7 26.9 1.0 FE1 A:SF4302 2.8 25.4 1.0 FE4 A:SF4302 2.8 24.9 1.0 CB A:CYS259 3.0 22.3 1.0 HB3 A:CYS259 3.4 26.9 1.0 HE21 B:GLN187 3.6 27.0 1.0 HA A:CYS265 3.8 37.6 1.0 S3 A:SF4302 3.9 23.1 1.0 H A:CYS259 4.1 29.3 1.0 CZ B:ARG182 4.1 17.9 1.0 NE B:ARG182 4.2 22.5 1.0 H A:ILE266 4.2 29.2 1.0 NH2 B:ARG182 4.2 24.1 1.0 HE B:ARG182 4.3 27.1 1.0 NE2 B:GLN187 4.3 22.4 1.0 HD3 B:ARG182 4.3 28.8 1.0 HH21 B:ARG182 4.3 29.1 1.0 CA A:CYS259 4.4 26.4 1.0 HE1 A:TRP252 4.4 26.9 1.0 HE22 B:GLN187 4.5 27.0 1.0 HH22 B:ARG182 4.5 29.1 1.0 NH1 B:ARG182 4.6 20.9 1.0 N A:CYS259 4.6 24.3 1.0 SG A:CYS247 4.7 38.9 1.0 SG A:CYS265 4.7 27.6 1.0 CA A:CYS265 4.7 31.2 1.0 SG A:CYS268 4.7 24.7 1.0 HG12 A:ILE266 4.8 30.6 1.0 HB2 A:CYS265 4.8 35.2 1.0 CD B:ARG182 4.8 23.9 1.0 HG3 B:GLN187 4.8 25.4 1.0 NE1 A:TRP252 4.8 22.3 1.0 HH11 B:ARG182 4.9 25.2 1.0 HH12 B:ARG182 4.9 25.2 1.0 H A:CYS268 4.9 36.2 1.0 HA A:CYS259 4.9 31.8 1.0 CB A:CYS265 5.0 29.2 1.0 N A:ILE266 5.0 24.2 1.0

Iron binding site 8 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:24.9 occ:1.00 FE4 A:SF4302 0.0 24.9 1.0 S1 A:SF4302 2.3 19.2 1.0 S3 A:SF4302 2.3 23.1 1.0 SG A:CYS247 2.3 38.9 1.0 S2 A:SF4302 2.3 21.9 1.0 FE2 A:SF4302 2.7 27.3 1.0 FE1 A:SF4302 2.8 25.4 1.0 FE3 A:SF4302 2.8 26.9 1.0 HB2 A:CYS247 3.3 53.2 1.0 CB A:CYS247 3.5 44.2 1.0 HE1 A:TRP252 3.6 26.9 1.0 HB3 A:CYS247 3.8 53.2 1.0 HH2 A:TRP165 3.8 43.5 1.0 HB3 A:ALA245 3.9 27.0 1.0 S4 A:SF4302 3.9 20.5 1.0 HD11 A:ILE207 4.0 45.8 1.0 HB1 A:ALA245 4.2 27.0 1.0 H A:CYS247 4.3 45.4 1.0 HD12 A:ILE207 4.4 45.8 1.0 NE1 A:TRP252 4.4 22.3 1.0 HG13 A:VAL269 4.4 26.6 1.0 CB A:ALA245 4.5 22.4 1.0 CD1 A:ILE207 4.6 38.1 1.0 HB2 A:CYS259 4.7 26.9 1.0 CH2 A:TRP165 4.7 36.1 1.0 SG A:CYS265 4.7 27.6 1.0 SG A:CYS259 4.7 26.4 1.0 HZ2 A:TRP252 4.7 23.1 1.0 HB2 A:ALA245 4.7 27.0 1.0 HG13 A:ILE207 4.8 31.3 1.0 CA A:CYS247 4.8 35.0 1.0 HZ2 A:TRP165 4.8 39.2 1.0 HE3 A:TRP258 4.8 30.6 1.0 HG11 A:VAL269 4.9 26.6 1.0 SG A:CYS268 4.9 24.7 1.0 HG21 A:THR243 4.9 34.4 1.0 N A:CYS247 4.9 37.7 1.0

Iron binding site 9 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:15.9 occ:0.54 FE1 A:SF4303 0.0 15.9 0.5 FE1 A:6ML304 0.1 16.5 0.5 O12 A:6ML304 1.7 19.7 0.5 S4 A:SF4303 2.3 16.6 0.5 SG A:CYS18 2.3 14.9 1.0 S3 A:6ML304 2.3 16.6 0.5 S3 A:SF4303 2.3 15.7 0.5 S2 A:SF4303 2.3 16.7 0.5 S2 A:6ML304 2.4 16.3 0.5 FE4 A:SF4303 2.7 17.3 0.5 FE3 A:SF4303 2.8 16.4 0.5 H A:CYS18 2.8 18.0 1.0 FE3 A:6ML304 2.8 16.1 0.5 FE2 A:SF4303 2.9 15.4 0.5 FE4 A:6ML304 3.0 15.0 0.5 FE2 A:6ML304 3.1 22.9 0.5 HB3 A:CYS18 3.2 10.5 1.0 HE2 B:HIS185 3.3 24.0 1.0 CB A:CYS18 3.3 8.8 1.0 H A:GLY20 3.3 27.3 1.0 O24 A:6ML304 3.4 15.1 0.5 N A:CYS18 3.5 14.8 1.0 HA3 A:GLY20 3.7 26.1 1.0 S1 A:6ML304 3.8 16.8 0.5 CA A:CYS18 3.9 12.6 1.0 S1 A:SF4303 3.9 16.2 0.5 S4 A:6ML304 4.0 16.4 0.5 N A:GLY20 4.1 22.6 1.0 HG3 B:ARG73 4.1 16.3 1.0 NE2 B:HIS185 4.1 19.9 1.0 HB2 A:CYS18 4.1 10.5 1.0 H A:CYS21 4.2 24.6 0.5 H A:CYS21 4.3 24.7 0.5 CA A:GLY20 4.3 21.6 1.0 HA2 A:GLY17 4.4 23.3 1.0 C A:CYS18 4.4 19.5 1.0 O B:HOH647 4.4 18.3 1.0 HA B:ARG73 4.5 8.8 1.0 H A:THR19 4.5 18.7 1.0 N A:THR19 4.6 15.5 1.0 C A:GLY17 4.6 16.5 1.0 HA A:CYS18 4.8 15.2 1.0 SG A:CYS21 4.8 19.1 0.5 O B:ARG73 4.8 12.1 1.0 SG A:CYS159 4.8 21.6 1.0 N A:CYS21 4.8 20.4 0.5 N A:CYS21 4.8 20.4 0.5 HB3 B:ARG73 4.9 10.0 1.0 CG B:ARG73 4.9 13.4 1.0 CA A:GLY17 4.9 19.3 1.0 SG A:CYS121 4.9 17.6 1.0 HD2 B:HIS185 5.0 23.6 1.0

Iron binding site 10 out of 36 in the Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1


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 From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure WTKR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:15.4 occ:0.54 FE2 A:SF4303 0.0 15.4 0.5 FE4 A:6ML304 0.2 15.0 0.5 O24 A:6ML304 1.8 15.1 0.5 S3 A:6ML304 2.2 16.6 0.5 S1 A:SF4303 2.3 16.2 0.5 S4 A:SF4303 2.3 16.6 0.5 S3 A:SF4303 2.3 15.7 0.5 SG A:CYS121 2.3 17.6 1.0 S4 A:6ML304 2.3 16.4 0.5 FE3 A:6ML304 2.7 16.1 0.5 HB2 A:CYS121 2.7 20.7 1.0 FE3 A:SF4303 2.7 16.4 0.5 FE4 A:SF4303 2.8 17.3 0.5 FE1 A:SF4303 2.9 15.9 0.5 FE1 A:6ML304 2.9 16.5 0.5 CB A:CYS121 3.1 17.1 1.0 FE2 A:6ML304 3.1 22.9 0.5 H A:CYS121 3.3 15.7 1.0 O12 A:6ML304 3.3 19.7 0.5 HB3 A:CYS121 3.7 20.7 1.0 S1 A:6ML304 3.8 16.8 0.5 HA2 A:GLY17 3.8 23.3 1.0 O A:HOH413 3.8 21.4 1.0 O B:HOH647 3.9 18.3 1.0 S2 A:6ML304 3.9 16.3 0.5 S2 A:SF4303 4.0 16.7 0.5 N A:CYS121 4.0 13.0 1.0 H A:CYS18 4.0 18.0 1.0 CA A:CYS121 4.1 18.8 1.0 HA2 A:GLY78 4.2 17.6 1.0 SG A:CYS159 4.6 21.6 1.0 H A:GLY78 4.6 19.4 1.0 HA A:CYS121 4.6 22.7 1.0 HA3 A:GLY119 4.6 17.5 1.0 CA A:GLY17 4.7 19.3 1.0 N A:CYS18 4.7 14.8 1.0 O A:GLN16 4.8 19.0 1.0 SG A:CYS21 4.8 19.1 0.5 HA3 A:GLY17 4.9 23.3 1.0 H A:THR120 4.9 20.8 1.0 HA A:CYS159 4.9 16.9 1.0 H A:ALA122 4.9 19.4 1.0 HB3 A:CYS18 5.0 10.5 1.0 HD3 A:PRO128 5.0 20.5 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