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Iron in PDB 5oef: Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor

Enzymatic activity of Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor

All present enzymatic activity of Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor:
1.12.7.2;

Protein crystallography data

The structure of Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor, PDB code: 5oef was solved by L.Kertess, J.Esselborn, T.Happe, E.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.46 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.350, 72.880, 103.100, 90.00, 98.70, 90.00
R / Rfree (%) 23.2 / 26.9

Other elements in 5oef:

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

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

Iron binding site 1 out of 40 in 5oef

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Iron binding site 1 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:34.8
occ:0.62
FE2 A:9SQ601 0.0 34.8 0.6
C7 A:9SQ601 1.8 32.4 0.6
C5 A:9SQ601 1.9 34.0 0.6
C6 A:9SQ601 1.9 29.5 0.6
SE1 A:9SQ601 2.3 37.0 0.6
SE2 A:9SQ601 2.4 37.8 0.6
FE1 A:9SQ601 2.6 34.7 0.6
O5 A:9SQ601 2.6 29.6 0.6
O7 A:9SQ601 2.9 33.2 0.6
N6 A:9SQ601 3.0 26.6 0.6
HG2 A:PRO324 3.2 32.4 1.0
N1 A:9SQ601 3.4 32.2 0.6
HD2 A:PHE417 3.4 31.9 1.0
C1 A:9SQ601 3.5 32.3 0.6
C2 A:9SQ601 3.5 30.7 0.6
HB2 A:PRO324 3.6 35.4 1.0
C4 A:9SQ601 3.6 32.6 0.6
HD2 A:PRO324 3.7 35.1 1.0
C3 A:9SQ601 3.7 30.6 0.6
CG A:PRO324 4.0 27.0 1.0
HE3 A:LYS358 4.0 29.6 1.0
HD2 A:PRO231 4.0 38.4 1.0
HB3 A:PHE417 4.1 34.0 1.0
CB A:PRO324 4.2 29.5 1.0
HB2 A:CYS299 4.3 35.3 1.0
CD2 A:PHE417 4.3 26.6 1.0
CD A:PRO324 4.3 29.2 1.0
HZ2 A:LYS358 4.4 19.9 1.0
HG2 A:PRO231 4.5 37.1 1.0
N4 A:9SQ601 4.6 27.3 0.6
HG21 A:ILE268 4.6 36.4 1.0
O3 A:9SQ601 4.7 33.9 0.6
HZ3 A:LYS358 4.7 19.9 1.0
HB1 A:ALA230 4.7 37.6 1.0
CD A:PRO231 4.7 32.0 1.0
HD3 A:PRO231 4.8 38.4 1.0
HB3 A:PRO324 4.8 35.4 1.0
HG3 A:PRO324 4.8 32.4 1.0
HG22 A:ILE268 4.8 36.4 1.0
CE A:LYS358 4.8 24.6 1.0
SG A:CYS503 4.8 31.0 1.0
NZ A:LYS358 4.8 16.6 1.0
HE2 A:PHE417 4.9 32.5 1.0
CB A:PHE417 5.0 28.4 1.0
HD3 A:PRO324 5.0 35.1 1.0

Iron binding site 2 out of 40 in 5oef

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Iron binding site 2 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:34.7
occ:0.62
FE1 A:9SQ601 0.0 34.7 0.6
C3 A:9SQ601 1.7 30.6 0.6
C5 A:9SQ601 1.8 34.0 0.6
C4 A:9SQ601 1.8 32.6 0.6
SE1 A:9SQ601 2.3 37.0 0.6
SE2 A:9SQ601 2.3 37.8 0.6
FE2 A:9SQ601 2.6 34.8 0.6
SG A:CYS503 2.6 31.0 1.0
O5 A:9SQ601 2.9 29.6 0.6
O3 A:9SQ601 2.9 33.9 0.6
N4 A:9SQ601 3.0 27.3 0.6
HB3 A:CYS503 3.2 37.4 1.0
CB A:CYS503 3.3 31.1 1.0
HB2 A:CYS503 3.4 37.4 1.0
C1 A:9SQ601 3.4 32.3 0.6
C2 A:9SQ601 3.5 30.7 0.6
N1 A:9SQ601 3.8 32.2 0.6
C7 A:9SQ601 3.9 32.4 0.6
C6 A:9SQ601 3.9 29.5 0.6
FE4 A:SF4602 4.0 26.9 1.0
HE3 A:LYS358 4.0 29.6 1.0
HD2 A:PRO231 4.1 38.4 1.0
HB1 A:ALA230 4.1 37.6 1.0
HA2 A:GLY418 4.2 35.1 1.0
HD2 A:PRO354 4.4 36.1 1.0
S2 A:SF4602 4.4 15.2 1.0
HG2 A:PRO354 4.4 31.2 1.0
HG3 A:PRO354 4.5 31.2 1.0
CG A:PRO354 4.8 26.0 1.0
HG2 A:PRO231 4.8 37.1 1.0
CA A:CYS503 4.8 26.8 1.0
O7 A:9SQ601 4.8 33.2 0.6
N6 A:9SQ601 4.8 26.6 0.6
HB3 A:PHE417 4.9 34.0 1.0
CE A:LYS358 4.9 24.6 1.0
CD A:PRO354 4.9 30.1 1.0
CB A:ALA230 5.0 31.3 1.0
HE2 A:LYS358 5.0 29.6 1.0
HB2 A:ALA230 5.0 37.6 1.0

Iron binding site 3 out of 40 in 5oef

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Iron binding site 3 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:27.1
occ:1.00
FE1 A:SF4602 0.0 27.1 1.0
SG A:CYS355 2.3 27.9 1.0
S2 A:SF4602 2.3 15.2 1.0
S3 A:SF4602 2.3 12.6 1.0
S4 A:SF4602 2.3 12.0 1.0
HB2 A:CYS355 2.7 35.1 1.0
FE4 A:SF4602 2.7 26.9 1.0
FE3 A:SF4602 2.7 26.2 1.0
FE2 A:SF4602 2.7 22.3 1.0
CB A:CYS355 3.1 29.2 1.0
HB3 A:SER357 3.7 34.7 1.0
HB3 A:CYS355 3.7 35.1 1.0
O A:HOH727 3.9 17.2 1.0
S1 A:SF4602 3.9 17.7 1.0
HD2 A:PRO301 3.9 33.3 1.0
HG2 A:LYS358 3.9 31.4 1.0
HA A:CYS355 4.0 33.3 1.0
O3 A:9SQ601 4.0 33.9 0.6
CA A:CYS355 4.2 27.7 1.0
HE2 A:LYS358 4.2 29.6 1.0
HG2 A:PRO301 4.3 33.3 1.0
H A:SER357 4.4 36.1 1.0
HB2 A:SER357 4.4 34.7 1.0
CB A:SER357 4.5 28.9 1.0
C3 A:9SQ601 4.6 30.6 0.6
H A:LYS358 4.6 31.0 1.0
H A:GLY302 4.7 30.0 1.0
SG A:CYS499 4.7 21.8 1.0
CD A:PRO301 4.8 27.7 1.0
CG A:LYS358 4.8 26.2 1.0
HA2 A:GLY506 4.8 22.3 1.0
SG A:CYS300 4.9 31.2 1.0
SG A:CYS503 4.9 31.0 1.0
H A:GLY507 4.9 32.2 1.0
HA A:CYS300 4.9 25.4 1.0
HA3 A:GLY506 4.9 22.3 1.0
HA A:CYS503 4.9 32.2 1.0
HG3 A:LYS358 4.9 31.4 1.0
H A:THR356 4.9 28.9 1.0
CG A:PRO301 5.0 27.8 1.0
HG2 A:PRO354 5.0 31.2 1.0
HB3 A:ALA498 5.0 35.4 1.0

Iron binding site 4 out of 40 in 5oef

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Iron binding site 4 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [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
S1 A:SF4602 2.3 17.7 1.0
S4 A:SF4602 2.3 12.0 1.0
S3 A:SF4602 2.3 12.6 1.0
SG A:CYS499 2.3 21.8 1.0
FE3 A:SF4602 2.7 26.2 1.0
FE4 A:SF4602 2.7 26.9 1.0
FE1 A:SF4602 2.7 27.1 1.0
HB2 A:CYS499 3.0 32.5 1.0
H A:CYS499 3.1 34.8 1.0
CB A:CYS499 3.3 27.1 1.0
HA2 A:GLY506 3.4 22.3 1.0
HB3 A:ALA498 3.6 35.4 1.0
N A:CYS499 3.7 29.0 1.0
HA A:CYS503 3.8 32.2 1.0
S2 A:SF4602 3.9 15.2 1.0
HB3 A:CYS499 4.0 32.5 1.0
CA A:CYS499 4.1 29.0 1.0
HA3 A:GLY506 4.2 22.3 1.0
CA A:GLY506 4.2 18.6 1.0
O A:HOH727 4.2 17.2 1.0
H A:ALA498 4.3 39.6 1.0
H A:GLY507 4.4 32.2 1.0
CB A:ALA498 4.5 29.5 1.0
HB2 A:CYS193 4.5 27.1 1.0
HB2 A:CYS355 4.6 35.1 1.0
SG A:CYS355 4.7 27.9 1.0
CA A:CYS503 4.7 26.8 1.0
C A:ALA498 4.7 28.3 1.0
HA A:CYS499 4.7 34.8 1.0
SG A:CYS300 4.8 31.2 1.0
N A:ALA498 4.8 33.0 1.0
SG A:CYS503 4.8 31.0 1.0
HE21 A:GLN195 4.9 30.5 1.0
CA A:ALA498 4.9 25.9 1.0
O A:GLY502 5.0 18.7 1.0
HB1 A:ALA498 5.0 35.4 1.0
HA A:CYS193 5.0 30.3 1.0
N A:GLY506 5.0 23.4 1.0

Iron binding site 5 out of 40 in 5oef

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Iron binding site 5 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:26.2
occ:1.00
FE3 A:SF4602 0.0 26.2 1.0
S4 A:SF4602 2.3 12.0 1.0
S1 A:SF4602 2.3 17.7 1.0
S2 A:SF4602 2.3 15.2 1.0
SG A:CYS300 2.3 31.2 1.0
FE2 A:SF4602 2.7 22.3 1.0
FE1 A:SF4602 2.7 27.1 1.0
FE4 A:SF4602 2.7 26.9 1.0
HB3 A:ALA498 3.2 35.4 1.0
H A:ALA498 3.2 39.6 1.0
HB2 A:CYS300 3.4 29.9 1.0
CB A:CYS300 3.4 24.9 1.0
HA A:CYS300 3.5 25.4 1.0
H A:GLY302 3.5 30.0 1.0
HD2 A:PRO301 3.7 33.3 1.0
S3 A:SF4602 3.9 12.6 1.0
CA A:CYS300 3.9 21.1 1.0
CB A:ALA498 4.0 29.5 1.0
HB2 A:ALA498 4.0 35.4 1.0
H A:CYS499 4.0 34.8 1.0
N A:ALA498 4.0 33.0 1.0
HA3 A:GLY302 4.1 31.7 1.0
HB3 A:CYS300 4.2 29.9 1.0
N A:GLY302 4.3 25.0 1.0
HA A:MET497 4.4 34.6 1.0
C A:CYS300 4.4 22.9 1.0
H A:TRP303 4.4 32.1 1.0
CD A:PRO301 4.5 27.7 1.0
CA A:ALA498 4.6 25.9 1.0
N A:PRO301 4.6 27.1 1.0
SG A:CYS499 4.7 21.8 1.0
CA A:GLY302 4.7 26.4 1.0
N A:CYS499 4.7 29.0 1.0
HB1 A:ALA498 4.7 35.4 1.0
HB3 A:MET497 4.8 34.2 1.0
HG2 A:PRO301 4.8 33.3 1.0
SG A:CYS355 4.8 27.9 1.0
SG A:CYS503 4.8 31.0 1.0
SD A:MET497 4.9 30.7 1.0
HB3 A:SER357 4.9 34.7 1.0
C2 A:9SQ601 4.9 30.7 0.6

Iron binding site 6 out of 40 in 5oef

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Iron binding site 6 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:26.9
occ:1.00
FE4 A:SF4602 0.0 26.9 1.0
S3 A:SF4602 2.3 12.6 1.0
S2 A:SF4602 2.3 15.2 1.0
S1 A:SF4602 2.3 17.7 1.0
SG A:CYS503 2.3 31.0 1.0
FE1 A:SF4602 2.7 27.1 1.0
FE2 A:SF4602 2.7 22.3 1.0
FE3 A:SF4602 2.7 26.2 1.0
HA A:CYS503 3.0 32.2 1.0
CB A:CYS503 3.3 31.1 1.0
HB3 A:CYS503 3.3 37.4 1.0
CA A:CYS503 3.6 26.8 1.0
C3 A:9SQ601 3.8 30.6 0.6
S4 A:SF4602 3.9 12.0 1.0
O3 A:9SQ601 3.9 33.9 0.6
FE1 A:9SQ601 4.0 34.7 0.6
HB2 A:CYS355 4.1 35.1 1.0
N A:CYS503 4.1 25.9 1.0
C2 A:9SQ601 4.1 30.7 0.6
HB2 A:CYS503 4.2 37.4 1.0
SE2 A:9SQ601 4.2 37.8 0.6
H A:CYS503 4.2 31.1 1.0
HG2 A:PRO354 4.5 31.2 1.0
HB2 A:CYS300 4.6 29.9 1.0
SD A:MET497 4.7 30.7 1.0
HB2 A:CYS499 4.7 32.5 1.0
SG A:CYS300 4.7 31.2 1.0
HA A:CYS300 4.8 25.4 1.0
H A:CYS499 4.8 34.8 1.0
C A:GLY502 4.8 27.0 1.0
SG A:CYS355 4.8 27.9 1.0
CB A:CYS355 4.9 29.2 1.0
HB3 A:MET497 4.9 34.2 1.0
HA2 A:GLY506 4.9 22.3 1.0
C A:CYS503 4.9 21.1 1.0
HD2 A:PRO301 4.9 33.3 1.0
SG A:CYS499 5.0 21.8 1.0
HA3 A:GLY506 5.0 22.3 1.0

Iron binding site 7 out of 40 in 5oef

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Iron binding site 7 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:23.8
occ:1.00
FE1 A:SF4603 0.0 23.8 1.0
SG A:CYS193 2.2 34.0 1.0
S2 A:SF4603 2.3 30.9 1.0
S4 A:SF4603 2.3 32.4 1.0
S3 A:SF4603 2.3 34.3 1.0
FE4 A:SF4603 2.7 30.3 1.0
FE3 A:SF4603 2.7 31.1 1.0
FE2 A:SF4603 2.8 24.1 1.0
H A:CYS193 2.8 35.0 1.0
HG21 A:THR161 3.0 32.9 1.0
H A:GLY194 3.3 31.6 1.0
H A:GLN195 3.4 28.8 1.0
N A:CYS193 3.5 29.2 1.0
CB A:CYS193 3.5 22.6 1.0
HB3 A:CYS193 3.7 27.1 1.0
HB2 A:GLN195 3.8 29.7 1.0
N A:GLY194 3.8 26.3 1.0
HB2 A:LEU191 3.8 27.9 1.0
S1 A:SF4603 3.9 29.1 1.0
CG2 A:THR161 3.9 27.4 1.0
CA A:CYS193 3.9 25.2 1.0
H A:LEU191 4.0 32.2 1.0
HG23 A:THR161 4.0 32.9 1.0
H A:LEU192 4.1 31.7 1.0
H A:CYS196 4.1 23.0 1.0
N A:GLN195 4.2 24.0 1.0
C A:CYS193 4.2 20.8 1.0
HG22 A:THR161 4.3 32.9 1.0
HB2 A:CYS193 4.3 27.1 1.0
N A:LEU192 4.4 26.4 1.0
C A:LEU192 4.5 26.4 1.0
HA A:LEU192 4.6 26.6 1.0
CB A:GLN195 4.6 24.7 1.0
N A:LEU191 4.7 26.9 1.0
CB A:LEU191 4.7 23.3 1.0
SG A:CYS196 4.7 22.3 1.0
HA A:CYS157 4.8 26.9 1.0
SG A:CYS190 4.8 25.2 1.0
CA A:LEU192 4.8 22.2 1.0
CA A:GLY194 4.8 24.3 1.0
HG2 A:GLN195 4.8 31.3 1.0
SG A:CYS157 4.8 26.3 1.0
HA A:CYS193 4.8 30.3 1.0
C A:LEU191 4.9 27.6 1.0
HA2 A:GLY194 4.9 29.2 1.0
HD12 A:LEU191 4.9 29.3 1.0
HG A:LEU191 4.9 35.6 1.0
N A:CYS196 4.9 19.1 1.0
C A:GLY194 5.0 27.1 1.0
CA A:GLN195 5.0 23.7 1.0

Iron binding site 8 out of 40 in 5oef

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Iron binding site 8 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:24.1
occ:1.00
FE2 A:SF4603 0.0 24.1 1.0
SG A:CYS157 2.3 26.3 1.0
S1 A:SF4603 2.3 29.1 1.0
S3 A:SF4603 2.3 34.3 1.0
S4 A:SF4603 2.3 32.4 1.0
FE4 A:SF4603 2.7 30.3 1.0
FE3 A:SF4603 2.7 31.1 1.0
FE1 A:SF4603 2.8 23.8 1.0
HB2 A:CYS157 3.0 27.2 1.0
HB3 A:ALA165 3.1 37.8 1.0
CB A:CYS157 3.2 22.6 1.0
HA A:CYS157 3.6 26.9 1.0
HG21 A:THR161 3.7 32.9 1.0
H A:MET166 3.8 32.0 1.0
S2 A:SF4603 3.9 30.9 1.0
H A:ALA165 3.9 37.0 1.0
HG1 A:THR163 4.0 28.9 1.0
CA A:CYS157 4.0 22.4 1.0
HB3 A:CYS157 4.0 27.2 1.0
HG1 A:THR161 4.0 31.0 1.0
CB A:ALA165 4.0 31.5 1.0
OG1 A:THR161 4.0 25.8 1.0
HB2 A:MET166 4.0 29.4 1.0
OG1 A:THR163 4.1 24.1 1.0
HB2 A:ALA165 4.3 37.8 1.0
N A:MET166 4.4 26.7 1.0
HG23 A:THR161 4.4 32.9 1.0
CG2 A:THR161 4.4 27.4 1.0
HB3 A:CYS196 4.5 27.9 1.0
HB1 A:ALA165 4.5 37.8 1.0
N A:ALA165 4.5 30.8 1.0
H A:LEU191 4.5 32.2 1.0
HB3 A:MET166 4.6 29.4 1.0
HA A:CYS190 4.7 30.1 1.0
CA A:ALA165 4.7 24.5 1.0
CB A:MET166 4.7 24.5 1.0
SG A:CYS193 4.7 34.0 1.0
CB A:THR161 4.8 25.6 1.0
C A:CYS157 4.8 27.4 1.0
SG A:CYS196 4.8 22.3 1.0
O A:CYS157 4.8 27.4 1.0
H A:CYS196 4.9 23.0 1.0
SG A:CYS190 4.9 25.2 1.0
HE2 A:MET166 4.9 32.4 1.0
C A:ALA165 4.9 25.4 1.0

Iron binding site 9 out of 40 in 5oef

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Iron binding site 9 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:31.1
occ:1.00
FE3 A:SF4603 0.0 31.1 1.0
S4 A:SF4603 2.3 32.4 1.0
S1 A:SF4603 2.3 29.1 1.0
S2 A:SF4603 2.3 30.9 1.0
SG A:CYS196 2.3 22.3 1.0
FE1 A:SF4603 2.7 23.8 1.0
FE2 A:SF4603 2.7 24.1 1.0
FE4 A:SF4603 2.8 30.3 1.0
H A:CYS196 3.1 23.0 1.0
HB3 A:CYS196 3.1 27.9 1.0
CB A:CYS196 3.3 23.2 1.0
HE2 A:MET166 3.6 32.4 1.0
HD11 A:LEU140 3.7 37.0 1.0
H A:GLY194 3.8 31.6 1.0
N A:CYS196 3.8 19.1 1.0
S3 A:SF4603 3.9 34.3 1.0
HB2 A:CYS196 4.1 27.9 1.0
HB2 A:CYS157 4.1 27.2 1.0
HB2 A:MET166 4.1 29.4 1.0
H A:GLN195 4.1 28.8 1.0
HD13 A:LEU140 4.2 37.0 1.0
CA A:CYS196 4.2 16.6 1.0
HA2 A:GLY194 4.3 29.2 1.0
CD1 A:LEU140 4.4 30.8 1.0
CE A:MET166 4.4 27.0 1.0
N A:GLY194 4.5 26.3 1.0
HE3 A:MET166 4.5 32.4 1.0
N A:GLN195 4.5 24.0 1.0
SG A:CYS193 4.6 34.0 1.0
H A:CYS193 4.6 35.0 1.0
SG A:CYS190 4.6 25.2 1.0
HB2 A:GLN195 4.7 29.7 1.0
SG A:CYS157 4.7 26.3 1.0
CA A:GLY194 4.7 24.3 1.0
HE1 A:MET166 4.8 32.4 1.0
HA A:CYS196 4.8 20.0 1.0
HD21 A:LEU140 4.8 37.7 1.0
CB A:CYS157 4.8 22.6 1.0
C A:GLY194 4.9 27.1 1.0
HB3 A:ALA165 4.9 37.8 1.0
HD12 A:LEU140 4.9 37.0 1.0
HE2 A:PHE185 4.9 32.6 1.0
H A:ILE197 4.9 31.7 1.0
C A:GLN195 5.0 23.5 1.0
HA A:LEU192 5.0 26.6 1.0

Iron binding site 10 out of 40 in 5oef

Go back to Iron Binding Sites List in 5oef
Iron binding site 10 out of 40 in the Active Semisynthetic [Fefe]-Hydrogenase Cpi with Aza-Diselenato- Bridged [2FE] Cofactor


Mono view


Stereo pair view

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

b:30.3
occ:1.00
FE4 A:SF4603 0.0 30.3 1.0
S3 A:SF4603 2.3 34.3 1.0
SG A:CYS190 2.3 25.2 1.0
S1 A:SF4603 2.3 29.1 1.0
S2 A:SF4603 2.3 30.9 1.0
FE1 A:SF4603 2.7 23.8 1.0
FE2 A:SF4603 2.7 24.1 1.0
FE3 A:SF4603 2.8 31.1 1.0
H A:LEU192 2.9 31.7 1.0
H A:LEU191 3.0 32.2 1.0
HB3 A:ALA165 3.4 37.8 1.0
CB A:CYS190 3.4 28.0 1.0
HA A:CYS190 3.4 30.1 1.0
HB2 A:CYS190 3.4 33.5 1.0
N A:LEU191 3.6 26.9 1.0
N A:LEU192 3.6 26.4 1.0
HD11 A:LEU140 3.7 37.0 1.0
H A:CYS193 3.7 35.0 1.0
HA A:LEU192 3.8 26.6 1.0
CA A:CYS190 3.8 25.1 1.0
S4 A:SF4603 3.9 32.4 1.0
HD2 A:PHE185 4.0 38.1 1.0
HB1 A:ALA165 4.1 37.8 1.0
C A:CYS190 4.1 28.1 1.0
CB A:ALA165 4.1 31.5 1.0
HB3 A:CYS190 4.2 33.5 1.0
CA A:LEU192 4.2 22.2 1.0
HB2 A:ALA165 4.4 37.8 1.0
HD23 A:LEU192 4.5 34.4 1.0
N A:CYS193 4.5 29.2 1.0
H A:GLY194 4.5 31.6 1.0
HB2 A:LEU191 4.5 27.9 1.0
C A:LEU191 4.5 27.6 1.0
CA A:LEU191 4.6 25.2 1.0
CD1 A:LEU140 4.6 30.8 1.0
HD12 A:LEU140 4.7 37.0 1.0
CD2 A:PHE185 4.7 31.7 1.0
HD13 A:LEU140 4.8 37.0 1.0
SG A:CYS157 4.8 26.3 1.0
SG A:CYS193 4.8 34.0 1.0
SG A:CYS196 4.9 22.3 1.0
HG21 A:THR161 4.9 32.9 1.0
C A:LEU192 4.9 26.4 1.0
HE2 A:PHE185 4.9 32.6 1.0
HB3 A:PHE185 4.9 31.5 1.0
HG A:LEU191 5.0 35.6 1.0

Reference:

L.Kertess, F.Wittkamp, C.Sommer, J.Esselborn, O.Rudiger, E.J.Reijerse, E.Hofmann, W.Lubitz, M.Winkler, T.Happe, U.P.Apfel. Chalcogenide Substitution in the [2FE] Cluster of [Fefe]-Hydrogenases Conserves High Enzymatic Activity. Dalton Trans V. 46 16947 2017.
ISSN: ESSN 1477-9234
PubMed: 29177350
DOI: 10.1039/C7DT03785F
Page generated: Tue Aug 6 06:41:10 2024

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