Iron in PDB 6z8o: Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr

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

The structure of Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr, PDB code: 6z8o 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)	39.12 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.716, 97.022, 121.318, 90.00, 104.66, 90.00
R / Rfree (%)	22.6 / 27.5

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

Nickel	(Ni)	2 atoms
Krypton	(Kr)	20 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 G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr (pdb code 6z8o). 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 G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr, PDB code: 6z8o:
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 G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.8 occ:1.00 FE1 A:SF4301 0.0 41.8 1.0 SG A:CYS238 2.3 35.2 1.0 S2 A:SF4301 2.3 37.0 1.0 S3 A:SF4301 2.3 40.3 1.0 S4 A:SF4301 2.3 49.0 1.0 FE4 A:SF4301 2.7 25.3 1.0 FE3 A:SF4301 2.7 51.6 1.0 FE2 A:SF4301 2.7 44.4 1.0 HB3 A:CYS238 2.9 47.5 1.0 CB A:CYS238 3.1 38.4 1.0 HB2 A:CYS238 3.4 47.5 1.0 HB2 A:ARG233 3.7 45.5 1.0 HD3 A:PRO241 3.8 44.2 1.0 H A:GLY240 3.8 45.6 1.0 HA3 A:GLY240 3.9 46.4 1.0 S1 A:SF4301 3.9 55.4 1.0 H A:ARG233 3.9 57.1 1.0 HG11 A:VAL260 4.0 48.2 1.0 HG22 A:VAL260 4.0 46.4 1.0 HG21 A:VAL260 4.3 46.4 1.0 HG13 A:VAL260 4.3 48.2 1.0 H A:TYR234 4.5 54.3 1.0 CA A:CYS238 4.5 35.0 1.0 N A:GLY240 4.5 36.9 1.0 HA A:TYR234 4.5 53.1 1.0 CG1 A:VAL260 4.6 39.0 1.0 CG2 A:VAL260 4.6 37.5 1.0 N A:TYR234 4.6 44.1 1.0 SG A:CYS232 4.6 42.2 1.0 CB A:ARG233 4.6 36.8 1.0 CA A:GLY240 4.6 37.5 1.0 N A:ARG233 4.7 46.4 1.0 SG A:CYS211 4.7 37.6 1.0 HB2 A:TYR234 4.7 50.3 1.0 CD A:PRO241 4.7 35.6 1.0 C A:CYS238 4.8 36.8 1.0 ND1 A:HIS208 4.8 40.0 1.0 C A:ARG233 4.9 38.1 1.0 HB3 A:ARG233 4.9 45.5 1.0 HA A:CYS238 4.9 43.5 1.0 CA A:ARG233 5.0 40.9 1.0

Iron binding site 2 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:44.4 occ:1.00 FE2 A:SF4301 0.0 44.4 1.0 ND1 A:HIS208 2.2 40.0 1.0 S3 A:SF4301 2.3 40.3 1.0 S4 A:SF4301 2.3 49.0 1.0 S1 A:SF4301 2.3 55.4 1.0 FE1 A:SF4301 2.7 41.8 1.0 FE4 A:SF4301 2.7 25.3 1.0 FE3 A:SF4301 2.7 51.6 1.0 CE1 A:HIS208 2.9 51.5 1.0 HE1 A:HIS208 2.9 63.3 1.0 HA A:HIS208 3.2 55.7 1.0 HD3 A:PRO241 3.2 44.2 1.0 CG A:HIS208 3.3 40.0 1.0 HB2 A:HIS208 3.6 55.7 1.0 HG3 A:PRO241 3.7 44.5 1.0 CB A:HIS208 3.8 45.2 1.0 HA3 A:GLY240 3.9 46.4 1.0 S2 A:SF4301 3.9 37.0 1.0 CA A:HIS208 3.9 45.3 1.0 NE2 A:HIS208 4.0 50.6 1.0 CD A:PRO241 4.0 35.6 1.0 HB2 A:CYS211 4.2 52.6 1.0 CD2 A:HIS208 4.2 45.2 1.0 HB3 A:CYS211 4.2 52.6 1.0 CG A:PRO241 4.3 35.9 1.0 N A:PRO241 4.5 42.0 1.0 CB A:CYS211 4.5 42.6 1.0 SG A:CYS238 4.6 35.2 1.0 HB2 A:TYR217 4.6 64.6 1.0 CA A:GLY240 4.7 37.5 1.0 HE2 A:HIS208 4.7 62.1 1.0 C A:GLY240 4.7 41.4 1.0 HB3 A:HIS208 4.7 55.7 1.0 SG A:CYS211 4.8 37.6 1.0 HD13 A:LEU214 4.8 58.8 1.0 H A:GLY240 4.8 45.6 1.0 SG A:CYS232 4.8 42.2 1.0 HD2 A:PRO241 4.8 44.2 1.0 HB2 A:TYR234 4.8 50.3 1.0 N A:HIS208 4.8 46.0 1.0 HG2 A:PRO241 4.8 44.5 1.0 HA A:PRO241 4.9 50.5 1.0 HB3 A:CYS238 4.9 47.5 1.0 C A:HIS208 4.9 47.7 1.0 H A:HIS208 5.0 56.6 1.0

Iron binding site 3 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:51.6 occ:1.00 FE3 A:SF4301 0.0 51.6 1.0 S2 A:SF4301 2.3 37.0 1.0 SG A:CYS232 2.3 42.2 1.0 S1 A:SF4301 2.3 55.4 1.0 S4 A:SF4301 2.3 49.0 1.0 FE4 A:SF4301 2.7 25.3 1.0 FE1 A:SF4301 2.7 41.8 1.0 FE2 A:SF4301 2.7 44.4 1.0 H A:ARG233 3.1 57.1 1.0 HB2 A:TYR217 3.4 64.6 1.0 HB2 A:CYS232 3.5 55.4 1.0 CB A:CYS232 3.5 45.0 1.0 H A:TYR234 3.5 54.3 1.0 HB2 A:TYR234 3.8 50.3 1.0 N A:ARG233 3.8 46.4 1.0 HA A:CYS232 3.8 55.7 1.0 S3 A:SF4301 3.9 40.3 1.0 HE1 A:HIS208 3.9 63.3 1.0 HB2 A:TYR213 4.0 50.8 1.0 CA A:CYS232 4.1 45.2 1.0 N A:TYR234 4.1 44.1 1.0 HD1 A:TYR217 4.2 52.3 1.0 HB3 A:CYS232 4.3 55.4 1.0 CB A:TYR217 4.3 52.6 1.0 C A:CYS232 4.4 46.9 1.0 CE1 A:HIS208 4.5 51.5 1.0 HB2 A:ARG233 4.5 45.5 1.0 ND1 A:HIS208 4.5 40.0 1.0 HB3 A:CYS238 4.5 47.5 1.0 CB A:TYR234 4.6 40.8 1.0 CD1 A:TYR217 4.6 42.4 1.0 O A:TYR213 4.7 50.3 1.0 HB3 A:TYR213 4.7 50.8 1.0 CG A:TYR217 4.7 46.4 1.0 CA A:ARG233 4.8 40.9 1.0 HA A:LEU214 4.8 59.0 1.0 HA A:TYR234 4.8 53.1 1.0 CA A:TYR234 4.8 43.0 1.0 CB A:TYR213 4.8 41.1 1.0 SG A:CYS211 4.8 37.6 1.0 HB3 A:TYR234 4.8 50.3 1.0 HB3 A:TYR217 4.8 64.6 1.0 C A:ARG233 4.8 38.1 1.0 SG A:CYS238 4.9 35.2 1.0 HA A:TYR217 4.9 64.3 1.0

Iron binding site 4 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:25.3 occ:1.00 FE4 A:SF4301 0.0 25.3 1.0 SG A:CYS211 2.3 37.6 1.0 S2 A:SF4301 2.3 37.0 1.0 S1 A:SF4301 2.3 55.4 1.0 S3 A:SF4301 2.3 40.3 1.0 FE3 A:SF4301 2.7 51.6 1.0 FE1 A:SF4301 2.7 41.8 1.0 FE2 A:SF4301 2.7 44.4 1.0 HB3 A:CYS211 2.9 52.6 1.0 CB A:CYS211 3.0 42.6 1.0 HB2 A:CYS211 3.0 52.6 1.0 HB2 A:TYR213 3.3 50.8 1.0 HG11 A:VAL260 3.4 48.2 1.0 S4 A:SF4301 3.9 49.0 1.0 HD2 A:TYR213 3.9 54.8 1.0 HA A:HIS208 4.0 55.7 1.0 H A:TYR213 4.1 55.7 1.0 CB A:TYR213 4.3 41.1 1.0 CG1 A:VAL260 4.4 39.0 1.0 HG21 A:VAL260 4.4 46.4 1.0 CA A:CYS211 4.4 40.1 1.0 HG13 A:VAL260 4.5 48.2 1.0 ND1 A:HIS208 4.6 40.0 1.0 H A:ARG233 4.6 57.1 1.0 HG22 A:ILE207 4.7 48.9 1.0 C A:TYR213 4.7 45.1 1.0 HA A:LEU214 4.7 59.0 1.0 SG A:CYS238 4.7 35.2 1.0 HB3 A:TYR213 4.7 50.8 1.0 HA A:CYS211 4.7 49.5 1.0 CD2 A:TYR213 4.7 44.5 1.0 N A:LEU214 4.8 48.2 1.0 N A:TYR213 4.8 45.2 1.0 HG12 A:VAL260 4.8 48.2 1.0 CA A:TYR213 4.8 43.4 1.0 SG A:CYS232 4.9 42.2 1.0 H A:LEU214 4.9 59.3 1.0 CA A:HIS208 4.9 45.3 1.0 HA3 A:GLY240 5.0 46.4 1.0 HG22 A:VAL260 5.0 46.4 1.0

Iron binding site 5 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:34.6 occ:1.00 FE1 A:SF4302 0.0 34.6 1.0 S4 A:SF4302 2.3 26.3 1.0 S3 A:SF4302 2.3 32.6 1.0 S2 A:SF4302 2.3 41.4 1.0 SG A:CYS268 2.3 23.1 1.0 FE2 A:SF4302 2.7 24.3 1.0 FE3 A:SF4302 2.7 29.2 1.0 FE4 A:SF4302 2.8 32.8 1.0 H A:CYS268 2.9 49.5 1.0 HH22 B:ARG182 3.3 40.5 1.0 HH12 B:ARG182 3.3 38.3 1.0 HB3 A:CYS268 3.3 33.4 1.0 CB A:CYS268 3.4 26.7 1.0 NH2 B:ARG182 3.6 32.6 1.0 NH1 B:ARG182 3.6 30.7 1.0 N A:CYS268 3.6 40.0 1.0 CZ B:ARG182 3.8 29.7 1.0 S1 A:SF4302 3.9 30.7 1.0 HG13 A:VAL269 3.9 44.8 1.0 HH21 B:ARG182 4.1 40.5 1.0 HH11 B:ARG182 4.1 38.3 1.0 CA A:CYS268 4.1 28.5 1.0 H A:VAL269 4.2 41.3 1.0 HB2 A:CYS268 4.2 33.4 1.0 HG13 A:ILE266 4.4 35.6 1.0 H A:GLY267 4.5 49.9 1.0 H A:ILE266 4.5 41.2 1.0 HH2 A:TRP165 4.6 45.3 1.0 HG12 A:ILE266 4.6 35.6 1.0 HZ2 A:TRP252 4.6 40.4 1.0 N A:VAL269 4.6 33.2 1.0 SG A:CYS259 4.7 30.4 1.0 NE B:ARG182 4.7 30.6 1.0 C A:GLY267 4.7 32.8 1.0 C A:CYS268 4.7 29.9 1.0 HA2 A:GLY267 4.8 38.9 1.0 H A:CYS159 4.8 37.6 1.0 N A:GLY267 4.8 40.4 1.0 SG A:CYS265 4.8 27.9 1.0 CG1 A:VAL269 4.9 36.2 1.0 SG A:CYS247 4.9 36.0 1.0 HA A:CYS268 4.9 35.6 1.0 CG1 A:ILE266 5.0 28.5 1.0 HG22 A:VAL269 5.0 54.5 1.0 HG21 A:THR243 5.0 50.2 1.0

Iron binding site 6 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:24.3 occ:1.00 FE2 A:SF4302 0.0 24.3 1.0 SG A:CYS265 2.3 27.9 1.0 S3 A:SF4302 2.3 32.6 1.0 S4 A:SF4302 2.3 26.3 1.0 S1 A:SF4302 2.3 30.7 1.0 FE1 A:SF4302 2.7 34.6 1.0 FE4 A:SF4302 2.7 32.8 1.0 FE3 A:SF4302 2.7 29.2 1.0 H A:GLY267 3.1 49.9 1.0 HG21 A:THR243 3.4 50.2 1.0 H A:CYS268 3.6 49.5 1.0 H A:ILE266 3.6 41.2 1.0 HA2 A:GLY267 3.7 38.9 1.0 HA A:CYS265 3.7 37.6 1.0 CB A:CYS265 3.7 34.9 1.0 N A:GLY267 3.8 40.4 1.0 S2 A:SF4302 3.9 41.4 1.0 HB2 A:CYS265 4.0 43.3 1.0 CA A:CYS265 4.2 30.2 1.0 CA A:GLY267 4.2 31.2 1.0 N A:ILE266 4.2 33.2 1.0 HB2 A:CYS259 4.2 41.5 1.0 N A:CYS268 4.3 40.0 1.0 HG13 A:ILE207 4.3 52.5 1.0 CG2 A:THR243 4.4 40.6 1.0 HB3 A:CYS265 4.5 43.3 1.0 HD12 A:ILE207 4.6 51.5 1.0 C A:CYS265 4.6 31.4 1.0 HD11 A:ILE207 4.7 51.5 1.0 HG22 A:THR243 4.7 50.2 1.0 C A:GLY267 4.7 32.8 1.0 SG A:CYS268 4.7 23.1 1.0 HG23 A:THR243 4.8 50.2 1.0 SG A:CYS247 4.8 36.0 1.0 CB A:CYS259 4.8 33.4 1.0 C A:ILE266 4.9 31.5 1.0 HB3 A:CYS259 4.9 41.5 1.0 HG22 A:VAL269 4.9 54.5 1.0 H A:VAL269 4.9 41.3 1.0 SG A:CYS259 4.9 30.4 1.0 HG13 A:ILE266 4.9 35.6 1.0 HG12 A:ILE266 5.0 35.6 1.0 CD1 A:ILE207 5.0 41.8 1.0 HB3 A:ALA245 5.0 51.9 1.0

Iron binding site 7 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:29.2 occ:1.00 FE3 A:SF4302 0.0 29.2 1.0 SG A:CYS259 2.3 30.4 1.0 S2 A:SF4302 2.3 41.4 1.0 S1 A:SF4302 2.3 30.7 1.0 S4 A:SF4302 2.3 26.3 1.0 HB2 A:CYS259 2.6 41.5 1.0 FE4 A:SF4302 2.7 32.8 1.0 FE1 A:SF4302 2.7 34.6 1.0 FE2 A:SF4302 2.7 24.3 1.0 CB A:CYS259 2.9 33.4 1.0 HB3 A:CYS259 3.2 41.5 1.0 S3 A:SF4302 3.9 32.6 1.0 H A:CYS259 4.0 43.9 1.0 HA A:CYS265 4.0 37.6 1.0 HD3 B:ARG182 4.2 41.9 1.0 HE1 A:TRP252 4.2 41.6 1.0 CZ B:ARG182 4.3 29.7 1.0 CA A:CYS259 4.3 33.0 1.0 HE21 B:GLN187 4.4 35.2 1.0 SG A:CYS265 4.4 27.9 1.0 NH1 B:ARG182 4.4 30.7 1.0 NE B:ARG182 4.4 30.6 1.0 H A:ILE266 4.4 41.2 1.0 N A:CYS259 4.5 35.4 1.0 HH11 B:ARG182 4.5 38.3 1.0 NH2 B:ARG182 4.5 32.6 1.0 SG A:CYS247 4.6 36.0 1.0 HH12 B:ARG182 4.6 38.3 1.0 NE1 A:TRP252 4.6 33.5 1.0 HE B:ARG182 4.7 38.1 1.0 HG3 B:GLN187 4.7 31.4 1.0 HE3 A:TRP258 4.7 44.6 1.0 HH22 B:ARG182 4.8 40.5 1.0 HH21 B:ARG182 4.8 40.5 1.0 HA A:CYS259 4.8 41.0 1.0 CD B:ARG182 4.8 33.7 1.0 HB3 A:CYS247 4.8 52.6 1.0 CA A:CYS265 4.9 30.2 1.0 HB2 A:CYS265 4.9 43.3 1.0 SG A:CYS268 4.9 23.1 1.0 HG12 A:ILE266 4.9 35.6 1.0 HB2 A:CYS247 4.9 52.6 1.0 CB A:CYS265 5.0 34.9 1.0

Iron binding site 8 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:32.8 occ:1.00 FE4 A:SF4302 0.0 32.8 1.0 S1 A:SF4302 2.3 30.7 1.0 S2 A:SF4302 2.3 41.4 1.0 S3 A:SF4302 2.3 32.6 1.0 SG A:CYS247 2.3 36.0 1.0 FE2 A:SF4302 2.7 24.3 1.0 FE3 A:SF4302 2.7 29.2 1.0 FE1 A:SF4302 2.8 34.6 1.0 HH2 A:TRP165 3.4 45.3 1.0 HB2 A:CYS247 3.4 52.6 1.0 CB A:CYS247 3.5 42.7 1.0 HE1 A:TRP252 3.5 41.6 1.0 HB3 A:CYS247 3.7 52.6 1.0 S4 A:SF4302 3.9 26.3 1.0 HB3 A:ALA245 4.1 51.9 1.0 HZ2 A:TRP252 4.2 40.4 1.0 HD11 A:ILE207 4.2 51.5 1.0 NE1 A:TRP252 4.2 33.5 1.0 CH2 A:TRP165 4.3 36.5 1.0 HB1 A:ALA245 4.3 51.9 1.0 HG13 A:VAL269 4.4 44.8 1.0 HD12 A:ILE207 4.4 51.5 1.0 HZ2 A:TRP165 4.5 43.6 1.0 CB A:ALA245 4.6 42.0 1.0 SG A:CYS268 4.6 23.1 1.0 H A:CYS247 4.7 48.1 1.0 HB2 A:CYS259 4.7 41.5 1.0 SG A:CYS259 4.7 30.4 1.0 SG A:CYS265 4.7 27.9 1.0 HG21 A:THR243 4.8 50.2 1.0 HG11 A:VAL269 4.8 44.8 1.0 CD1 A:ILE207 4.8 41.8 1.0 HH12 B:ARG182 4.8 38.3 1.0 CZ2 A:TRP252 4.8 32.5 1.0 HE3 A:TRP258 4.9 44.6 1.0 CZ2 A:TRP165 4.9 35.2 1.0 CA A:CYS247 4.9 41.5 1.0 HB2 A:ALA245 4.9 51.9 1.0 CE2 A:TRP252 4.9 31.9 1.0 NH1 B:ARG182 4.9 30.7 1.0 HH11 B:ARG182 5.0 38.3 1.0

Iron binding site 9 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:27.4 occ:0.54 FE1 A:SF4303 0.0 27.4 0.5 FE1 A:6ML304 0.1 28.2 0.5 O12 A:6ML304 1.8 34.4 0.5 S3 A:6ML304 2.3 25.1 0.5 S2 A:SF4303 2.3 29.1 0.5 S4 A:SF4303 2.3 25.2 0.5 S3 A:SF4303 2.3 38.6 0.5 SG A:CYS18 2.3 27.5 1.0 S2 A:6ML304 2.4 28.9 0.5 H A:CYS18 2.6 28.8 1.0 FE3 A:6ML304 2.7 27.8 0.5 FE3 A:SF4303 2.7 28.4 0.5 FE4 A:SF4303 2.7 34.3 0.5 FE2 A:SF4303 2.8 34.1 0.5 FE4 A:6ML304 2.9 33.8 0.5 HB3 A:CYS18 3.0 29.6 1.0 H A:GLY20 3.1 56.2 1.0 FE2 A:6ML304 3.2 37.1 0.5 CB A:CYS18 3.2 23.5 1.0 O24 A:6ML304 3.3 32.4 0.5 N A:CYS18 3.4 22.8 1.0 HA3 A:GLY20 3.4 56.1 1.0 HE1 B:HIS185 3.5 27.8 1.0 CA A:CYS18 3.7 30.0 1.0 S1 A:6ML304 3.8 39.7 0.5 N A:GLY20 3.8 45.7 1.0 S1 A:SF4303 3.9 29.9 0.5 S4 A:6ML304 3.9 29.9 0.5 HB2 A:CYS18 4.0 29.6 1.0 CA A:GLY20 4.1 45.6 1.0 C A:CYS18 4.2 33.9 1.0 H A:CYS21 4.2 72.4 0.7 HA2 A:GLY17 4.2 34.6 1.0 HG3 B:ARG73 4.2 30.0 1.0 H A:CYS21 4.3 72.0 0.3 CE1 B:HIS185 4.4 22.0 1.0 C A:GLY17 4.5 31.1 1.0 SG A:CYS21 4.5 43.9 0.3 N A:THR19 4.6 28.2 1.0 HA A:CYS18 4.6 37.4 1.0 HA B:ARG73 4.6 28.4 1.0 H A:THR19 4.6 35.3 1.0 O B:ARG73 4.6 20.1 1.0 O A:CYS18 4.7 26.7 1.0 CA A:GLY17 4.8 27.7 1.0 N A:CYS21 4.8 59.2 0.7 HG2 B:ARG73 4.8 30.0 1.0 SG A:CYS121 4.8 22.0 1.0 HA2 A:GLY20 4.8 56.1 1.0 HB3 B:ARG73 4.8 28.3 1.0 N A:CYS21 4.8 58.8 0.3 HA3 A:GLY17 4.9 34.6 1.0 CG B:ARG73 4.9 23.8 1.0 SG A:CYS159 4.9 22.1 1.0 C A:GLY20 4.9 48.4 1.0 OE2 A:GLU77 4.9 49.4 1.0

Iron binding site 10 out of 36 in the Structure of [Nifese] Hydrogenase G491A Variant From Desulfovibrio Vulgaris Hildenborough Pressurized with Krypton Gas - Structure G491A-Kr


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 Krypton Gas - Structure G491A-Kr within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:34.1 occ:0.54 FE2 A:SF4303 0.0 34.1 0.5 FE4 A:6ML304 0.1 33.8 0.5 O24 A:6ML304 1.9 32.4 0.5 S3 A:6ML304 2.2 25.1 0.5 S4 A:SF4303 2.3 25.2 0.5 S1 A:SF4303 2.3 29.9 0.5 S3 A:SF4303 2.3 38.6 0.5 SG A:CYS121 2.3 22.0 1.0 S4 A:6ML304 2.4 29.9 0.5 FE3 A:SF4303 2.7 28.4 0.5 FE3 A:6ML304 2.7 27.8 0.5 HB2 A:CYS121 2.7 33.4 1.0 FE4 A:SF4303 2.7 34.3 0.5 FE1 A:SF4303 2.8 27.4 0.5 FE1 A:6ML304 2.9 28.2 0.5 CB A:CYS121 3.1 26.6 1.0 FE2 A:6ML304 3.2 37.1 0.5 O12 A:6ML304 3.3 34.4 0.5 H A:CYS121 3.3 36.3 1.0 HB3 A:CYS121 3.7 33.4 1.0 HA2 A:GLY17 3.7 34.6 1.0 H A:CYS18 3.8 28.8 1.0 S2 A:SF4303 3.9 29.1 0.5 S2 A:6ML304 3.9 28.9 0.5 HA2 A:GLY78 4.0 37.3 1.0 S1 A:6ML304 4.0 39.7 0.5 N A:CYS121 4.1 29.0 1.0 CA A:CYS121 4.2 31.0 1.0 HA3 A:GLY119 4.3 47.2 1.0 SG A:CYS21 4.5 43.9 0.3 H A:GLY78 4.5 37.2 1.0 N A:CYS18 4.6 22.8 1.0 CA A:GLY17 4.6 27.7 1.0 SG A:CYS159 4.7 22.1 1.0 HA A:CYS121 4.7 38.6 1.0 H A:THR120 4.7 42.7 1.0 HB3 A:CYS18 4.8 29.6 1.0 H A:ALA122 4.8 46.6 1.0 HG3 A:GLU77 4.8 46.7 1.0 HA3 A:GLY17 4.8 34.6 1.0 O A:GLN16 4.8 26.3 1.0 CA A:GLY78 4.8 29.9 1.0 N A:GLY78 5.0 29.8 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