Atomistry » Iron » PDB 6gj9-6h6j » 6h63
Atomistry »
  Iron »
    PDB 6gj9-6h6j »
      6h63 »

Iron in PDB 6h63: Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor

Enzymatic activity of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor

All present enzymatic activity of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor:
1.12.7.2;

Protein crystallography data

The structure of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor, PDB code: 6h63 was solved by J.Duan, M.Winkler, E.Hofmann, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.61 / 2.08
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.020, 73.530, 104.140, 90.00, 97.66, 90.00
R / Rfree (%) 20.1 / 24.5

Other elements in 6h63:

The structure of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor (pdb code 6h63). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor, PDB code: 6h63:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 1 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:43.0
occ:0.65
FE2 A:FU8601 0.0 43.0 0.7
C7 A:FU8601 1.8 34.7 0.7
C6 A:FU8601 1.9 28.1 0.7
C5 A:FU8601 2.0 31.0 0.7
S2 A:FU8601 2.3 38.7 0.7
S1 A:FU8601 2.3 43.7 0.7
FE1 A:FU8601 2.6 33.6 0.7
O5 A:FU8601 2.7 23.5 0.7
O7 A:FU8601 2.9 31.4 0.7
C2 A:FU8601 3.0 27.7 0.7
C1 A:FU8601 3.0 24.0 0.7
HG2 A:PRO324 3.0 34.3 1.0
N6 A:FU8601 3.1 21.6 0.7
HD2 A:PHE417 3.4 30.5 1.0
HD2 A:PRO324 3.6 33.5 1.0
C4 A:FU8601 3.6 29.0 0.7
C3 A:FU8601 3.7 27.2 0.7
HB2 A:PRO324 3.7 33.1 1.0
CG A:PRO324 3.8 28.6 1.0
HE3 A:LYS358 3.9 29.4 1.0
HB3 A:PHE417 4.0 32.4 1.0
HB2 A:CYS299 4.2 35.4 1.0
HZ1 A:LYS358 4.2 28.4 1.0
CD A:PRO324 4.2 27.9 1.0
CB A:PRO324 4.3 27.6 1.0
HD2 A:PRO231 4.3 34.8 1.0
CD2 A:PHE417 4.3 25.4 1.0
SG A:CYS503 4.6 30.9 1.0
O3 A:FU8601 4.6 28.1 0.7
HG3 A:PRO324 4.6 34.3 1.0
N4 A:FU8601 4.6 17.3 0.7
HG2 A:PRO231 4.6 39.8 1.0
HG21 A:ILE268 4.7 37.7 1.0
CE A:LYS358 4.7 24.5 1.0
NZ A:LYS358 4.7 23.7 1.0
HD3 A:PRO324 4.8 33.5 1.0
HB3 A:PRO324 4.8 33.1 1.0
HZ2 A:LYS358 4.8 28.4 1.0
HE2 A:LYS358 4.9 29.4 1.0
HG22 A:ILE268 4.9 37.7 1.0
HD3 A:PRO231 4.9 34.8 1.0
CB A:PHE417 4.9 27.0 1.0
CD A:PRO231 4.9 29.0 1.0
O A:CYS299 4.9 23.5 1.0
HE2 A:PHE417 5.0 32.0 1.0
HB1 A:ALA230 5.0 36.3 1.0

Iron binding site 2 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 2 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:33.6
occ:0.65
FE1 A:FU8601 0.0 33.6 0.7
C3 A:FU8601 1.7 27.2 0.7
C4 A:FU8601 1.8 29.0 0.7
C5 A:FU8601 1.9 31.0 0.7
S1 A:FU8601 2.3 43.7 0.7
S2 A:FU8601 2.3 38.7 0.7
SG A:CYS503 2.3 30.9 1.0
FE2 A:FU8601 2.6 43.0 0.7
O3 A:FU8601 3.0 28.1 0.7
N4 A:FU8601 3.0 17.3 0.7
O5 A:FU8601 3.1 23.5 0.7
HB3 A:CYS503 3.2 32.5 1.0
CB A:CYS503 3.3 27.1 1.0
C1 A:FU8601 3.3 24.0 0.7
C2 A:FU8601 3.3 27.7 0.7
HB2 A:CYS503 3.4 32.5 1.0
C7 A:FU8601 3.7 34.7 0.7
C6 A:FU8601 3.9 28.1 0.7
FE4 A:SF4602 4.1 25.9 1.0
HE3 A:LYS358 4.1 29.4 1.0
HD2 A:PRO231 4.1 34.8 1.0
HA2 A:GLY418 4.2 34.9 1.0
HB1 A:ALA230 4.3 36.3 1.0
S2 A:SF4602 4.4 22.4 1.0
HG2 A:PRO354 4.4 34.8 1.0
HD2 A:PRO354 4.5 35.2 1.0
HG3 A:PRO354 4.5 34.8 1.0
HE2 A:LYS358 4.6 29.4 1.0
CA A:CYS503 4.7 26.4 1.0
O7 A:FU8601 4.8 31.4 0.7
CE A:LYS358 4.8 24.5 1.0
N6 A:FU8601 4.8 21.6 0.7
CG A:PRO354 4.8 29.0 1.0
HB3 A:PHE417 4.9 32.4 1.0
HA A:CYS503 4.9 31.7 1.0
HG2 A:PRO231 4.9 39.8 1.0

Iron binding site 3 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 3 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:23.1
occ:1.00
FE1 A:SF4602 0.0 23.1 1.0
S2 A:SF4602 2.3 22.4 1.0
S3 A:SF4602 2.3 18.7 1.0
SG A:CYS355 2.3 31.5 1.0
S4 A:SF4602 2.3 16.6 1.0
FE4 A:SF4602 2.7 25.9 1.0
FE3 A:SF4602 2.7 25.5 1.0
FE2 A:SF4602 2.8 22.3 1.0
HB2 A:CYS355 2.9 34.2 1.0
CB A:CYS355 3.2 28.5 1.0
HB3 A:SER357 3.6 32.2 1.0
HD2 A:PRO301 3.8 32.3 1.0
HB3 A:CYS355 3.8 34.2 1.0
S1 A:SF4602 3.9 22.1 1.0
HG2 A:LYS358 4.0 28.1 1.0
O A:HOH702 4.0 18.1 1.0
HA A:CYS355 4.1 34.4 1.0
HG2 A:PRO301 4.2 37.1 1.0
CA A:CYS355 4.3 28.6 1.0
HE2 A:LYS358 4.3 29.4 1.0
H A:SER357 4.3 35.5 1.0
O3 A:FU8601 4.3 28.1 0.7
HB2 A:SER357 4.4 32.2 1.0
CB A:SER357 4.4 26.9 1.0
H A:GLY302 4.6 28.6 1.0
C3 A:FU8601 4.7 27.2 0.7
CD A:PRO301 4.7 26.9 1.0
SG A:CYS503 4.7 30.9 1.0
H A:LYS358 4.7 34.4 1.0
SG A:CYS499 4.7 24.4 1.0
SG A:CYS300 4.8 30.4 1.0
CG A:PRO301 4.8 31.0 1.0
HB3 A:ALA498 4.9 37.5 1.0
CG A:LYS358 4.9 23.4 1.0
HA A:CYS300 4.9 30.3 1.0
HA3 A:GLY506 4.9 27.5 1.0
HA A:CYS503 4.9 31.7 1.0
H A:THR356 5.0 28.6 1.0
H A:GLY507 5.0 31.3 1.0
HA2 A:GLY506 5.0 27.5 1.0

Iron binding site 4 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 4 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:22.3
occ:1.00
FE2 A:SF4602 0.0 22.3 1.0
S4 A:SF4602 2.3 16.6 1.0
S1 A:SF4602 2.3 22.1 1.0
S3 A:SF4602 2.3 18.7 1.0
SG A:CYS499 2.3 24.4 1.0
FE3 A:SF4602 2.7 25.5 1.0
FE4 A:SF4602 2.8 25.9 1.0
FE1 A:SF4602 2.8 23.1 1.0
HB2 A:CYS499 3.0 31.7 1.0
H A:CYS499 3.2 32.9 1.0
CB A:CYS499 3.3 26.4 1.0
HA2 A:GLY506 3.4 27.5 1.0
HB3 A:ALA498 3.5 37.5 1.0
N A:CYS499 3.8 27.4 1.0
HA A:CYS503 3.8 31.7 1.0
S2 A:SF4602 3.9 22.4 1.0
HB3 A:CYS499 4.0 31.7 1.0
HA3 A:GLY506 4.1 27.5 1.0
CA A:CYS499 4.1 33.8 1.0
O A:HOH702 4.2 18.1 1.0
CA A:GLY506 4.2 22.9 1.0
H A:ALA498 4.4 33.2 1.0
CB A:ALA498 4.5 31.2 1.0
H A:GLY507 4.5 31.3 1.0
HB2 A:CYS193 4.6 24.5 1.0
SG A:CYS355 4.7 31.5 1.0
C A:ALA498 4.7 31.2 1.0
HB2 A:CYS355 4.7 34.2 1.0
HA A:CYS499 4.7 40.5 1.0
CA A:CYS503 4.8 26.4 1.0
SG A:CYS300 4.9 30.4 1.0
N A:ALA498 4.9 27.7 1.0
HE21 A:GLN195 4.9 33.8 1.0
HB1 A:ALA498 4.9 37.5 1.0
SG A:CYS503 4.9 30.9 1.0
CA A:ALA498 4.9 29.9 1.0
HA A:CYS193 5.0 29.7 1.0

Iron binding site 5 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 5 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:25.5
occ:1.00
FE3 A:SF4602 0.0 25.5 1.0
S4 A:SF4602 2.3 16.6 1.0
S2 A:SF4602 2.3 22.4 1.0
SG A:CYS300 2.3 30.4 1.0
S1 A:SF4602 2.3 22.1 1.0
FE2 A:SF4602 2.7 22.3 1.0
FE1 A:SF4602 2.7 23.1 1.0
FE4 A:SF4602 2.8 25.9 1.0
HB3 A:ALA498 3.1 37.5 1.0
H A:ALA498 3.2 33.2 1.0
HB2 A:CYS300 3.4 29.6 1.0
CB A:CYS300 3.5 24.6 1.0
H A:GLY302 3.6 28.6 1.0
HA A:CYS300 3.6 30.3 1.0
HD2 A:PRO301 3.7 32.3 1.0
CB A:ALA498 3.9 31.2 1.0
HB2 A:ALA498 3.9 37.5 1.0
S3 A:SF4602 3.9 18.7 1.0
H A:CYS499 3.9 32.9 1.0
N A:ALA498 4.0 27.7 1.0
CA A:CYS300 4.0 25.3 1.0
HA3 A:GLY302 4.1 34.5 1.0
HB3 A:CYS300 4.3 29.6 1.0
N A:GLY302 4.4 23.8 1.0
HA A:MET497 4.4 33.5 1.0
C A:CYS300 4.5 24.0 1.0
CA A:ALA498 4.5 29.9 1.0
H A:TRP303 4.5 30.1 1.0
CD A:PRO301 4.6 26.9 1.0
HB1 A:ALA498 4.6 37.5 1.0
SG A:CYS499 4.7 24.4 1.0
N A:CYS499 4.7 27.4 1.0
N A:PRO301 4.7 25.7 1.0
CA A:GLY302 4.7 28.7 1.0
SD A:MET497 4.7 32.2 1.0
HG2 A:PRO301 4.8 37.1 1.0
SG A:CYS503 4.8 30.9 1.0
HB3 A:MET497 4.8 36.6 1.0
SG A:CYS355 4.9 31.5 1.0
HB3 A:SER357 4.9 32.2 1.0

Iron binding site 6 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 6 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:25.9
occ:1.00
FE4 A:SF4602 0.0 25.9 1.0
S3 A:SF4602 2.3 18.7 1.0
S1 A:SF4602 2.3 22.1 1.0
S2 A:SF4602 2.3 22.4 1.0
SG A:CYS503 2.3 30.9 1.0
FE1 A:SF4602 2.7 23.1 1.0
FE2 A:SF4602 2.8 22.3 1.0
FE3 A:SF4602 2.8 25.5 1.0
HA A:CYS503 2.9 31.7 1.0
CB A:CYS503 3.4 27.1 1.0
CA A:CYS503 3.5 26.4 1.0
HB3 A:CYS503 3.7 32.5 1.0
C3 A:FU8601 3.9 27.2 0.7
S4 A:SF4602 3.9 16.6 1.0
N A:CYS503 4.1 23.5 1.0
FE1 A:FU8601 4.1 33.6 0.7
HB2 A:CYS355 4.1 34.2 1.0
HB2 A:CYS503 4.2 32.5 1.0
H A:CYS503 4.2 28.2 1.0
S2 A:FU8601 4.2 38.7 0.7
O3 A:FU8601 4.3 28.1 0.7
HG2 A:PRO354 4.6 34.8 1.0
SD A:MET497 4.6 32.2 1.0
HB2 A:CYS499 4.7 31.7 1.0
C2 A:FU8601 4.7 27.7 0.7
HB2 A:CYS300 4.7 29.6 1.0
SG A:CYS300 4.8 30.4 1.0
C A:GLY502 4.8 26.2 1.0
SG A:CYS355 4.8 31.5 1.0
H A:CYS499 4.8 32.9 1.0
C A:CYS503 4.8 22.5 1.0
HA A:CYS300 4.9 30.3 1.0
HD2 A:PRO301 4.9 32.3 1.0
HA3 A:GLY506 4.9 27.5 1.0
CB A:CYS355 4.9 28.5 1.0
SG A:CYS499 5.0 24.4 1.0
HA2 A:GLY506 5.0 27.5 1.0

Iron binding site 7 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 7 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:27.1
occ:1.00
FE1 A:SF4603 0.0 27.1 1.0
S2 A:SF4603 2.3 30.0 1.0
SG A:CYS193 2.3 30.4 1.0
S4 A:SF4603 2.3 30.1 0.9
S3 A:SF4603 2.3 31.8 1.0
FE4 A:SF4603 2.7 30.4 1.0
FE3 A:SF4603 2.7 24.2 0.9
FE2 A:SF4603 2.8 26.1 1.0
H A:CYS193 2.8 31.5 1.0
HG21 A:THR161 3.2 32.8 1.0
H A:GLY194 3.2 28.4 1.0
H A:GLN195 3.5 31.0 1.0
N A:CYS193 3.5 26.2 1.0
CB A:CYS193 3.6 20.4 1.0
HB3 A:CYS193 3.8 24.5 1.0
N A:GLY194 3.8 23.6 1.0
HB2 A:LEU191 3.8 35.0 1.0
HB2 A:GLN195 3.9 29.2 1.0
S1 A:SF4603 3.9 30.6 1.0
H A:LEU191 3.9 26.0 1.0
CA A:CYS193 4.0 24.8 1.0
H A:LEU192 4.0 27.9 1.0
CG2 A:THR161 4.0 27.3 1.0
HG23 A:THR161 4.1 32.8 1.0
H A:CYS196 4.2 25.0 1.0
N A:GLN195 4.3 25.8 1.0
C A:CYS193 4.3 22.7 1.0
N A:LEU192 4.3 23.3 1.0
HG22 A:THR161 4.4 32.8 1.0
HB2 A:CYS193 4.4 24.5 1.0
C A:LEU192 4.6 26.6 1.0
HA A:LEU192 4.6 29.4 1.0
N A:LEU191 4.7 21.7 1.0
CB A:LEU191 4.7 29.2 1.0
SG A:CYS196 4.7 25.2 1.0
SG A:CYS190 4.7 28.1 1.0
CB A:GLN195 4.8 24.3 1.0
CA A:LEU192 4.8 24.5 1.0
CA A:GLY194 4.8 26.4 1.0
HG A:LEU191 4.8 30.1 1.0
SG A:CYS157 4.8 23.6 1.0
HA A:CYS157 4.9 20.8 1.0
HG2 A:GLN195 4.9 33.6 1.0
HA2 A:GLY194 4.9 31.7 1.0
HA A:CYS193 4.9 29.7 1.0
C A:LEU191 4.9 25.1 1.0
HD12 A:LEU191 5.0 28.9 1.0

Iron binding site 8 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 8 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:26.1
occ:1.00
FE2 A:SF4603 0.0 26.1 1.0
S4 A:SF4603 2.3 30.1 0.9
SG A:CYS157 2.3 23.6 1.0
S3 A:SF4603 2.3 31.8 1.0
S1 A:SF4603 2.3 30.6 1.0
FE4 A:SF4603 2.8 30.4 1.0
FE3 A:SF4603 2.8 24.2 0.9
FE1 A:SF4603 2.8 27.1 1.0
HB3 A:ALA165 3.1 34.3 1.0
HB2 A:CYS157 3.1 23.2 1.0
CB A:CYS157 3.3 19.3 1.0
HA A:CYS157 3.7 20.8 1.0
HG21 A:THR161 3.7 32.8 1.0
H A:MET166 3.8 35.0 1.0
S2 A:SF4603 3.9 30.0 1.0
HG1 A:THR163 4.0 31.4 1.0
H A:ALA165 4.0 37.8 1.0
CB A:ALA165 4.0 28.6 1.0
CA A:CYS157 4.0 17.3 1.0
HB2 A:MET166 4.1 32.5 1.0
HB3 A:CYS157 4.1 23.2 1.0
HG1 A:THR161 4.1 25.2 1.0
OG1 A:THR161 4.2 21.0 1.0
OG1 A:THR163 4.2 26.1 1.0
HG23 A:THR161 4.4 32.8 1.0
HB2 A:ALA165 4.4 34.3 1.0
N A:MET166 4.4 29.2 1.0
CG2 A:THR161 4.4 27.3 1.0
HB1 A:ALA165 4.5 34.3 1.0
HB3 A:CYS196 4.5 35.4 1.0
HB3 A:MET166 4.6 32.5 1.0
H A:LEU191 4.6 26.0 1.0
N A:ALA165 4.6 31.5 1.0
HA A:CYS190 4.7 38.3 1.0
CB A:MET166 4.7 27.1 1.0
SG A:CYS193 4.8 30.4 1.0
CA A:ALA165 4.8 31.8 1.0
SG A:CYS196 4.9 25.2 1.0
C A:CYS157 4.9 26.8 1.0
CB A:THR161 4.9 26.0 1.0
SG A:CYS190 4.9 28.1 1.0
C A:ALA165 4.9 32.2 1.0
O A:CYS157 5.0 26.7 1.0
H A:CYS196 5.0 25.0 1.0

Iron binding site 9 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 9 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:24.2
occ:0.93
FE3 A:SF4603 0.0 24.2 0.9
S2 A:SF4603 2.3 30.0 1.0
S4 A:SF4603 2.3 30.1 0.9
SG A:CYS196 2.3 25.2 1.0
S1 A:SF4603 2.3 30.6 1.0
FE1 A:SF4603 2.7 27.1 1.0
FE4 A:SF4603 2.8 30.4 1.0
FE2 A:SF4603 2.8 26.1 1.0
H A:CYS196 3.1 25.0 1.0
HB3 A:CYS196 3.1 35.4 1.0
CB A:CYS196 3.3 29.5 1.0
H A:GLY194 3.8 28.4 1.0
HE2 A:MET166 3.8 27.3 1.0
HD11 A:LEU140 3.9 38.1 1.0
N A:CYS196 3.9 20.9 1.0
S3 A:SF4603 3.9 31.8 1.0
HB2 A:CYS196 4.1 35.4 1.0
HB2 A:CYS157 4.1 23.2 1.0
HB2 A:MET166 4.1 32.5 1.0
H A:GLN195 4.2 31.0 1.0
HD13 A:LEU140 4.2 38.1 1.0
CA A:CYS196 4.2 24.7 1.0
HA2 A:GLY194 4.3 31.7 1.0
CD1 A:LEU140 4.5 31.8 1.0
N A:GLY194 4.5 23.6 1.0
N A:GLN195 4.5 25.8 1.0
SG A:CYS193 4.6 30.4 1.0
CE A:MET166 4.7 22.7 1.0
HE3 A:MET166 4.7 27.3 1.0
SG A:CYS157 4.7 23.6 1.0
H A:CYS193 4.7 31.5 1.0
HB2 A:GLN195 4.7 29.2 1.0
SG A:CYS190 4.7 28.1 1.0
CA A:GLY194 4.8 26.4 1.0
HA A:CYS196 4.8 29.7 1.0
CB A:CYS157 4.9 19.3 1.0
C A:GLY194 4.9 30.3 1.0
HD12 A:LEU140 4.9 38.1 1.0
C A:GLN195 5.0 21.8 1.0
HB3 A:ALA165 5.0 34.3 1.0
H A:ILE197 5.0 32.6 1.0

Iron binding site 10 out of 40 in 6h63

Go back to Iron Binding Sites List in 6h63
Iron binding site 10 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Semisynthetic [Fefe]-Hydrogenase Cpi with Ethanedithiolate [2FE] Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe603

b:30.4
occ:1.00
FE4 A:SF4603 0.0 30.4 1.0
S3 A:SF4603 2.3 31.8 1.0
SG A:CYS190 2.3 28.1 1.0
S1 A:SF4603 2.3 30.6 1.0
S2 A:SF4603 2.3 30.0 1.0
FE1 A:SF4603 2.7 27.1 1.0
FE2 A:SF4603 2.8 26.1 1.0
FE3 A:SF4603 2.8 24.2 0.9
H A:LEU192 3.0 27.9 1.0
H A:LEU191 3.1 26.0 1.0
HA A:CYS190 3.4 38.3 1.0
CB A:CYS190 3.5 34.2 1.0
HB3 A:ALA165 3.5 34.3 1.0
HB2 A:CYS190 3.6 41.0 1.0
N A:LEU191 3.7 21.7 1.0
HD11 A:LEU140 3.8 38.1 1.0
N A:LEU192 3.8 23.3 1.0
CA A:CYS190 3.9 31.9 1.0
H A:CYS193 3.9 31.5 1.0
HA A:LEU192 3.9 29.4 1.0
S4 A:SF4603 3.9 30.1 0.9
HD2 A:PHE185 4.0 41.5 1.0
HB1 A:ALA165 4.1 34.3 1.0
C A:CYS190 4.2 26.7 1.0
CB A:ALA165 4.2 28.6 1.0
HB3 A:CYS190 4.3 41.0 1.0
CA A:LEU192 4.4 24.5 1.0
HD23 A:LEU192 4.4 33.1 1.0
H A:GLY194 4.5 28.4 1.0
HB2 A:ALA165 4.5 34.3 1.0
CD1 A:LEU140 4.6 31.8 1.0
N A:CYS193 4.6 26.2 1.0
HD12 A:LEU140 4.7 38.1 1.0
HB2 A:LEU191 4.7 35.0 1.0
CD2 A:PHE185 4.7 34.6 1.0
CA A:LEU191 4.7 26.3 1.0
C A:LEU191 4.7 25.1 1.0
HE2 A:PHE185 4.8 37.3 1.0
HD13 A:LEU140 4.8 38.1 1.0
SG A:CYS196 4.8 25.2 1.0
SG A:CYS157 4.9 23.6 1.0
SG A:CYS193 4.9 30.4 1.0
HB3 A:PHE185 5.0 32.0 1.0
HG21 A:THR161 5.0 32.8 1.0

Reference:

J.Duan, S.Mebs, K.Laun, F.Wittkamp, J.Heberle, T.Happe, E.Hofmann, U.-P.Apfel, M.Winkler, M.Senger, M.Haumann, S.Stripp. Geometry of the Catalytic Active Site in [Fefe]-Hydrogenase Is Determined By Hydrogen Bonding and Proton Transfer Acs Catalysis 2019.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B02203
Page generated: Sun Dec 13 16:28:13 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy