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Iron in PDB 2e7z: Acetylene Hydratase From Pelobacter Acetylenicus

Enzymatic activity of Acetylene Hydratase From Pelobacter Acetylenicus

All present enzymatic activity of Acetylene Hydratase From Pelobacter Acetylenicus:
4.2.1.71;

Protein crystallography data

The structure of Acetylene Hydratase From Pelobacter Acetylenicus, PDB code: 2e7z was solved by O.Einsle, P.M.H.Kroneck, G.B.Seiffert, A.Messerschmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.63 / 1.26
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.776, 71.971, 106.760, 90.00, 124.26, 90.00
R / Rfree (%) 16 / 19.5

Other elements in 2e7z:

The structure of Acetylene Hydratase From Pelobacter Acetylenicus also contains other interesting chemical elements:

Tungsten (W) 1 atom
Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Acetylene Hydratase From Pelobacter Acetylenicus (pdb code 2e7z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Acetylene Hydratase From Pelobacter Acetylenicus, PDB code: 2e7z:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2e7z

Go back to Iron Binding Sites List in 2e7z
Iron binding site 1 out of 4 in the Acetylene Hydratase From Pelobacter Acetylenicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Acetylene Hydratase From Pelobacter Acetylenicus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:13.3
occ:1.00
FE1 A:SF4800 0.0 13.3 1.0
S4 A:SF4800 2.3 13.1 1.0
SG A:CYS46 2.3 15.3 1.0
S2 A:SF4800 2.3 13.0 1.0
S3 A:SF4800 2.3 11.0 1.0
FE2 A:SF4800 2.7 11.4 1.0
FE3 A:SF4800 2.7 12.6 1.0
FE4 A:SF4800 2.7 11.7 1.0
CB A:CYS46 3.3 15.6 1.0
N A:CYS46 3.8 15.8 1.0
S1 A:SF4800 3.9 10.9 1.0
CA A:CYS46 4.1 15.3 1.0
CG1 A:VAL180 4.2 12.3 0.5
NZ A:LYS48 4.3 15.0 1.0
CB A:SER49 4.4 12.6 1.0
O A:HOH1044 4.5 13.1 1.0
CE A:LYS48 4.6 14.3 1.0
N A:SER49 4.6 12.8 1.0
SG A:CYS12 4.7 11.3 1.0
C A:CYS46 4.8 15.6 1.0
CG1 A:VAL180 4.8 13.6 0.5
SG A:CYS9 4.8 10.6 1.0
SG A:CYS16 4.8 13.4 1.0
C A:ILE45 4.8 16.1 1.0
CB A:LYS48 4.9 13.2 1.0
O A:CYS46 4.9 15.3 1.0

Iron binding site 2 out of 4 in 2e7z

Go back to Iron Binding Sites List in 2e7z
Iron binding site 2 out of 4 in the Acetylene Hydratase From Pelobacter Acetylenicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Acetylene Hydratase From Pelobacter Acetylenicus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:11.4
occ:1.00
FE2 A:SF4800 0.0 11.4 1.0
S3 A:SF4800 2.3 11.0 1.0
S1 A:SF4800 2.3 10.9 1.0
SG A:CYS9 2.3 10.6 1.0
S4 A:SF4800 2.3 13.1 1.0
FE4 A:SF4800 2.7 11.7 1.0
FE1 A:SF4800 2.7 13.3 1.0
FE3 A:SF4800 2.7 12.6 1.0
CB A:CYS9 3.2 10.0 1.0
CB A:SER49 3.8 12.6 1.0
S2 A:SF4800 3.9 13.0 1.0
OG A:SER49 4.1 13.6 1.0
CB A:SER11 4.3 10.7 1.0
N A:CYS12 4.3 9.4 1.0
N A:SER11 4.5 10.3 1.0
CA A:CYS9 4.5 9.1 1.0
O A:CYS9 4.5 8.8 1.0
C A:CYS9 4.5 8.8 1.0
SG A:CYS46 4.6 15.3 1.0
SG A:CYS16 4.7 13.4 1.0
CA A:SER11 4.7 10.6 1.0
CA A:SER49 4.7 13.3 1.0
CB A:CYS16 4.8 12.0 1.0
C A:SER11 4.8 10.4 1.0
SG A:CYS12 4.8 11.3 1.0
N A:SER49 4.8 12.8 1.0

Iron binding site 3 out of 4 in 2e7z

Go back to Iron Binding Sites List in 2e7z
Iron binding site 3 out of 4 in the Acetylene Hydratase From Pelobacter Acetylenicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Acetylene Hydratase From Pelobacter Acetylenicus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:12.6
occ:1.00
FE3 A:SF4800 0.0 12.6 1.0
S2 A:SF4800 2.3 13.0 1.0
SG A:CYS16 2.3 13.4 1.0
S4 A:SF4800 2.3 13.1 1.0
S1 A:SF4800 2.3 10.9 1.0
FE4 A:SF4800 2.7 11.7 1.0
FE1 A:SF4800 2.7 13.3 1.0
FE2 A:SF4800 2.7 11.4 1.0
CB A:CYS16 3.2 12.0 1.0
CG2 A:ILE14 3.8 12.1 1.0
S3 A:SF4800 3.9 11.0 1.0
N A:CYS16 3.9 10.5 1.0
CG1 A:VAL180 4.1 12.3 0.5
CG1 A:VAL180 4.2 13.6 0.5
CA A:CYS16 4.2 11.2 1.0
SG A:CYS12 4.7 11.3 1.0
OG A:SER181 4.8 13.7 0.5
SG A:CYS9 4.8 10.6 1.0
N A:VAL180 4.8 11.7 0.5
CB A:CYS9 4.9 10.0 1.0
N A:ASN15 4.9 10.1 1.0
SG A:CYS46 4.9 15.3 1.0
N A:SER181 5.0 12.1 0.5

Iron binding site 4 out of 4 in 2e7z

Go back to Iron Binding Sites List in 2e7z
Iron binding site 4 out of 4 in the Acetylene Hydratase From Pelobacter Acetylenicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Acetylene Hydratase From Pelobacter Acetylenicus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:11.7
occ:1.00
FE4 A:SF4800 0.0 11.7 1.0
S1 A:SF4800 2.3 10.9 1.0
SG A:CYS12 2.3 11.3 1.0
S3 A:SF4800 2.3 11.0 1.0
S2 A:SF4800 2.3 13.0 1.0
FE3 A:SF4800 2.7 12.6 1.0
FE2 A:SF4800 2.7 11.4 1.0
FE1 A:SF4800 2.7 13.3 1.0
CB A:CYS12 3.3 10.6 1.0
N A:CYS12 3.7 9.4 1.0
CA A:CYS12 3.9 10.1 1.0
S4 A:SF4800 3.9 13.1 1.0
O A:HOH1044 3.9 13.1 1.0
CG2 A:ILE14 3.9 12.1 1.0
C A:CYS12 4.1 10.5 1.0
O A:CYS12 4.2 10.8 1.0
C A:SER11 4.6 10.4 1.0
SG A:CYS46 4.6 15.3 1.0
CE A:LYS48 4.7 14.3 1.0
SG A:CYS9 4.7 10.6 1.0
SG A:CYS16 4.8 13.4 1.0
N A:ASP13 4.8 10.1 1.0
CD1 A:TRP179 4.8 11.1 0.5
N A:ILE14 4.9 10.6 1.0
N A:ASN15 4.9 10.1 1.0
NZ A:LYS48 5.0 15.0 1.0

Reference:

G.B.Seiffert, G.M.Ullmann, A.Messerschmidt, B.Schink, P.M.H.Kroneck, O.Einsle. Structure of the Non-Redox-Active Tungsten/[4FE:4S] Enzyme Acetylene Hydratase Proc.Natl.Acad.Sci.Usa V. 104 3073 2007.
ISSN: ISSN 0027-8424
PubMed: 17360611
DOI: 10.1073/PNAS.0610407104
Page generated: Sun Dec 13 14:43:21 2020

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