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Iron in PDB 2fdn: 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici

Protein crystallography data

The structure of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici, PDB code: 2fdn was solved by Z.Dauter, K.S.Wilson, L.C.Sieker, J.Meyer, J.M.Moulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 0.94
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 33.950, 33.950, 74.820, 90.00, 90.00, 90.00
R / Rfree (%) 10 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici (pdb code 2fdn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici, PDB code: 2fdn:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 2fdn

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Iron binding site 1 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe61

b:6.2
occ:1.00
FE1 A:SF461 0.0 6.2 1.0
S4 A:SF461 2.3 6.5 1.0
SG A:CYS8 2.3 6.4 1.0
S3 A:SF461 2.3 6.7 1.0
S2 A:SF461 2.3 6.0 1.0
FE4 A:SF461 2.7 5.9 1.0
FE3 A:SF461 2.7 5.9 1.0
FE2 A:SF461 2.8 6.2 1.0
H A:SER10 3.1 8.7 1.0
HA A:CYS8 3.2 8.0 1.0
CB A:CYS8 3.3 6.5 1.0
HB2 A:CYS8 3.4 7.8 1.0
HB2 A:TYR30 3.6 9.0 1.0
H A:ILE9 3.6 8.7 1.0
CA A:CYS8 3.7 6.7 1.0
S1 A:SF461 3.9 6.0 1.0
H A:CYS11 3.9 9.6 1.0
N A:SER10 3.9 7.3 1.0
HG23 A:ILE4 4.0 10.2 1.0
N A:ILE9 4.1 7.2 1.0
HB2 A:ALA51 4.2 9.7 1.0
HB3 A:CYS8 4.2 7.8 1.0
HG22 A:ILE4 4.3 10.2 1.0
C A:CYS8 4.3 7.0 1.0
H A:TYR30 4.3 10.8 1.0
CA A:SER10 4.4 7.3 1.0
HD11 A:ILE4 4.5 10.9 1.0
H A:GLY12 4.5 9.5 1.0
CB A:TYR30 4.5 7.5 1.0
HD1 A:TYR30 4.5 9.3 1.0
CG2 A:ILE4 4.6 6.8 1.0
N A:CYS11 4.6 8.0 1.0
HG12 A:ILE9 4.7 10.3 1.0
SG A:CYS47 4.7 6.0 1.0
CD1 A:TYR30 4.7 7.7 1.0
SG A:CYS14 4.7 7.0 1.0
CG A:TYR30 4.8 7.5 1.0
HB1 A:ALA51 4.8 9.7 1.0
CB A:ALA51 4.9 6.5 1.0
HB3 A:TYR30 4.9 9.0 1.0
C A:ILE9 4.9 7.2 1.0
SG A:CYS11 5.0 7.6 1.0
N A:CYS8 5.0 7.1 1.0
HG21 A:ILE4 5.0 10.2 1.0

Iron binding site 2 out of 8 in 2fdn

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Iron binding site 2 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe61

b:6.2
occ:1.00
FE2 A:SF461 0.0 6.2 1.0
S3 A:SF461 2.3 6.7 1.0
SG A:CYS11 2.3 7.6 1.0
S4 A:SF461 2.3 6.5 1.0
S1 A:SF461 2.3 6.0 1.0
FE4 A:SF461 2.7 5.9 1.0
FE1 A:SF461 2.8 6.2 1.0
FE3 A:SF461 2.8 5.9 1.0
H A:CYS11 2.8 9.6 1.0
H A:GLY12 3.1 9.5 1.0
H A:ALA13 3.4 9.2 1.0
CB A:CYS11 3.5 8.4 1.0
N A:CYS11 3.5 8.0 1.0
HB3 A:CYS11 3.7 10.1 1.0
HD2 A:PRO48 3.7 8.1 1.0
N A:GLY12 3.7 8.0 1.0
CA A:CYS11 3.9 8.1 1.0
S2 A:SF461 3.9 6.0 1.0
H A:CYS14 4.1 8.3 1.0
N A:ALA13 4.1 7.7 1.0
H A:SER10 4.1 8.7 1.0
HG12 A:ILE9 4.1 10.3 1.0
HB2 A:ALA13 4.2 13.0 1.0
C A:CYS11 4.2 8.7 1.0
HB2 A:CYS11 4.3 10.1 1.0
H A:ILE9 4.4 8.7 1.0
HG13 A:ILE9 4.5 10.3 1.0
HA A:CYS47 4.5 6.8 1.0
N A:SER10 4.5 7.3 1.0
CD A:PRO48 4.6 6.8 1.0
C A:SER10 4.6 7.8 1.0
CA A:GLY12 4.6 8.7 1.0
SG A:CYS47 4.6 6.0 1.0
SG A:CYS14 4.7 7.0 1.0
C A:GLY12 4.7 8.1 1.0
CA A:SER10 4.8 7.3 1.0
SG A:CYS8 4.8 6.4 1.0
CG1 A:ILE9 4.8 8.6 1.0
HD3 A:PRO48 4.8 8.1 1.0
HA2 A:GLY12 4.8 10.5 1.0
HB1 A:ALA13 4.8 13.0 1.0
CB A:ALA13 4.8 8.7 1.0
HA A:CYS11 4.8 9.7 1.0
N A:CYS14 4.9 6.9 1.0
HG2 A:PRO48 4.9 8.5 1.0
CA A:ALA13 5.0 8.2 1.0

Iron binding site 3 out of 8 in 2fdn

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Iron binding site 3 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe61

b:5.9
occ:1.00
FE3 A:SF461 0.0 5.9 1.0
SG A:CYS14 2.2 7.0 1.0
S2 A:SF461 2.3 6.0 1.0
S1 A:SF461 2.3 6.0 1.0
S4 A:SF461 2.3 6.5 1.0
FE4 A:SF461 2.7 5.9 1.0
FE1 A:SF461 2.7 6.2 1.0
FE2 A:SF461 2.8 6.2 1.0
HB3 A:CYS14 3.1 8.4 1.0
H A:CYS14 3.2 8.3 1.0
CB A:CYS14 3.3 7.0 1.0
S3 A:SF461 3.9 6.7 1.0
N A:CYS14 3.9 6.9 1.0
HB2 A:CYS14 4.0 8.4 1.0
HB2 A:TYR30 4.1 9.0 1.0
HD11 A:ILE4 4.2 10.9 1.0
CA A:CYS14 4.2 6.9 1.0
H A:GLY12 4.3 9.5 1.0
H A:ALA13 4.4 9.2 1.0
HB2 A:CYS47 4.4 6.7 1.0
HG3 A:PRO52 4.6 8.0 1.0
HB3 A:TYR30 4.6 9.0 1.0
N A:ALA13 4.7 7.7 1.0
CB A:TYR30 4.7 7.5 1.0
SG A:CYS11 4.7 7.6 1.0
SG A:CYS8 4.7 6.4 1.0
SG A:CYS47 4.8 6.0 1.0
HD12 A:ILE4 4.8 10.9 1.0
CG A:TYR30 4.8 7.5 1.0
HG23 A:ILE23 4.9 11.5 1.0
HD11 A:ILE23 4.9 13.2 1.0
HA A:CYS47 4.9 6.8 1.0
HA2 A:GLY12 4.9 10.5 1.0
H A:GLU15 4.9 8.5 1.0
HA A:CYS14 4.9 8.2 1.0
HD2 A:TYR30 4.9 10.1 1.0
N A:GLY12 4.9 8.0 1.0
CD1 A:ILE4 4.9 7.3 1.0
HB2 A:ALA13 4.9 13.0 1.0
HB2 A:CYS43 4.9 7.2 1.0
CD2 A:TYR30 5.0 8.4 1.0
C A:GLY12 5.0 8.1 1.0

Iron binding site 4 out of 8 in 2fdn

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Iron binding site 4 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe61

b:5.9
occ:1.00
FE4 A:SF461 0.0 5.9 1.0
SG A:CYS47 2.3 6.0 1.0
S1 A:SF461 2.3 6.0 1.0
S2 A:SF461 2.3 6.0 1.0
S3 A:SF461 2.3 6.7 1.0
FE3 A:SF461 2.7 5.9 1.0
FE1 A:SF461 2.7 6.2 1.0
FE2 A:SF461 2.7 6.2 1.0
HB2 A:CYS47 3.1 6.7 1.0
CB A:CYS47 3.2 5.6 1.0
HA A:CYS47 3.3 6.8 1.0
HD2 A:PRO48 3.5 8.1 1.0
HD3 A:PRO52 3.6 6.8 1.0
HB2 A:ALA51 3.7 9.7 1.0
CA A:CYS47 3.8 5.7 1.0
S4 A:SF461 3.8 6.5 1.0
HG23 A:VAL49 3.9 15.6 1.0
HB3 A:CYS47 4.0 6.7 1.0
H A:ALA51 4.1 7.2 1.0
HA A:CYS8 4.2 8.0 1.0
HG21 A:VAL49 4.3 15.6 1.0
HB1 A:ALA51 4.4 9.7 1.0
CD A:PRO48 4.4 6.8 1.0
CB A:ALA51 4.4 6.5 1.0
H A:VAL49 4.4 8.7 1.0
HB3 A:CYS14 4.5 8.4 1.0
HG3 A:PRO52 4.5 8.0 1.0
CG2 A:VAL49 4.5 10.4 1.0
CD A:PRO52 4.5 5.7 1.0
C A:CYS47 4.6 6.1 1.0
SG A:CYS11 4.6 7.6 1.0
H A:ILE9 4.6 8.7 1.0
SG A:CYS14 4.7 7.0 1.0
N A:PRO48 4.8 6.5 1.0
SG A:CYS8 4.8 6.4 1.0
HG2 A:PRO52 4.8 8.0 1.0
CG A:PRO52 4.8 6.7 1.0
HG22 A:VAL49 4.8 15.6 1.0
HD2 A:PRO52 4.9 6.8 1.0
HD3 A:PRO48 4.9 8.1 1.0
N A:ALA51 4.9 6.0 1.0
HB2 A:CYS8 4.9 7.8 1.0
HG12 A:ILE9 5.0 10.3 1.0
N A:CYS47 5.0 5.7 1.0
HG2 A:PRO48 5.0 8.5 1.0

Iron binding site 5 out of 8 in 2fdn

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Iron binding site 5 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe62

b:5.8
occ:1.00
FE1 A:SF462 0.0 5.8 1.0
S3 A:SF462 2.2 6.0 1.0
SG A:CYS37 2.3 5.9 1.0
S2 A:SF462 2.3 5.9 1.0
S4 A:SF462 2.3 6.0 1.0
FE4 A:SF462 2.7 5.9 1.0
FE3 A:SF462 2.7 5.7 1.0
FE2 A:SF462 2.7 6.1 1.0
HA A:CYS37 3.2 6.9 1.0
CB A:CYS37 3.3 6.0 1.0
HB2 A:CYS37 3.3 7.2 1.0
H A:ASP39 3.3 7.8 1.0
H A:ILE38 3.5 7.7 1.0
HB2 A:TYR2 3.7 7.5 1.0
CA A:CYS37 3.7 5.7 1.0
S1 A:SF462 3.9 6.2 1.0
H A:CYS40 4.0 8.8 1.0
HD11 A:ILE32 4.0 9.2 1.0
N A:ILE38 4.1 6.4 1.0
N A:ASP39 4.1 6.5 1.0
H A:TYR2 4.1 7.3 1.0
HB3 A:CYS37 4.1 7.2 1.0
HA A:ASP39 4.2 8.3 1.0
HG22 A:ILE32 4.2 9.4 1.0
HG23 A:ILE32 4.2 9.4 1.0
HB2 A:ALA22 4.3 11.4 1.0
C A:CYS37 4.3 6.0 1.0
HD13 A:ILE38 4.4 12.4 1.0
H A:GLY41 4.6 8.3 1.0
CB A:TYR2 4.6 6.2 1.0
CA A:ASP39 4.6 6.9 1.0
CG2 A:ILE32 4.7 6.3 1.0
N A:CYS40 4.7 7.3 1.0
SG A:CYS43 4.8 6.0 1.0
SG A:CYS18 4.8 6.4 1.0
HD1 A:TYR2 4.8 7.6 1.0
CD1 A:ILE32 4.9 6.1 1.0
HG12 A:ILE32 4.9 6.7 1.0
N A:TYR2 4.9 6.1 1.0
SG A:CYS40 4.9 7.4 1.0
HG23 A:VAL20 5.0 11.3 1.0
N A:CYS37 5.0 6.0 1.0
C A:ILE38 5.0 6.2 1.0

Iron binding site 6 out of 8 in 2fdn

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Iron binding site 6 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe62

b:6.1
occ:1.00
FE2 A:SF462 0.0 6.1 1.0
S4 A:SF462 2.3 6.0 1.0
SG A:CYS40 2.3 7.4 1.0
S3 A:SF462 2.3 6.0 1.0
S1 A:SF462 2.3 6.2 1.0
FE4 A:SF462 2.7 5.9 1.0
FE1 A:SF462 2.7 5.8 1.0
FE3 A:SF462 2.8 5.7 1.0
H A:CYS40 2.9 8.8 1.0
H A:GLY41 3.2 8.3 1.0
H A:ALA42 3.3 7.8 1.0
HD2 A:PRO19 3.3 9.4 1.0
CB A:CYS40 3.5 7.9 1.0
N A:CYS40 3.5 7.3 1.0
HD13 A:ILE38 3.7 12.4 1.0
HB3 A:CYS40 3.7 9.4 1.0
N A:GLY41 3.7 7.0 1.0
CA A:CYS40 3.9 7.6 1.0
S2 A:SF462 3.9 5.9 1.0
H A:CYS43 4.0 7.4 1.0
N A:ALA42 4.0 6.5 1.0
HB2 A:ALA42 4.1 11.5 1.0
HD12 A:ILE38 4.1 12.4 1.0
C A:CYS40 4.2 7.7 1.0
CD A:PRO19 4.2 7.8 1.0
H A:ASP39 4.2 7.8 1.0
HB2 A:CYS40 4.3 9.4 1.0
CD1 A:ILE38 4.4 8.3 1.0
H A:ILE38 4.4 7.7 1.0
HD3 A:PRO19 4.4 9.4 1.0
HG2 A:PRO19 4.4 10.9 1.0
HA A:CYS18 4.5 8.2 1.0
C A:ASP39 4.5 7.6 1.0
HG3 A:PRO19 4.5 10.9 1.0
N A:ASP39 4.6 6.5 1.0
SG A:CYS18 4.6 6.4 1.0
CG A:PRO19 4.6 9.1 1.0
CA A:GLY41 4.7 7.0 1.0
SG A:CYS43 4.7 6.0 1.0
HA A:ASP39 4.7 8.3 1.0
SG A:CYS37 4.7 5.9 1.0
HB1 A:ALA42 4.8 11.5 1.0
CB A:ALA42 4.8 7.7 1.0
HA2 A:GLY41 4.8 8.3 1.0
C A:GLY41 4.8 6.5 1.0
HA A:CYS40 4.8 9.1 1.0
N A:CYS43 4.8 6.2 1.0
CA A:ASP39 4.8 6.9 1.0
HG23 A:VAL20 4.9 11.3 1.0
HD11 A:ILE38 4.9 12.4 1.0
CA A:ALA42 4.9 6.8 1.0

Iron binding site 7 out of 8 in 2fdn

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Iron binding site 7 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe62

b:5.7
occ:1.00
FE3 A:SF462 0.0 5.7 1.0
S1 A:SF462 2.2 6.2 1.0
SG A:CYS43 2.3 6.0 1.0
S4 A:SF462 2.3 6.0 1.0
S2 A:SF462 2.3 5.9 1.0
FE4 A:SF462 2.7 5.9 1.0
FE1 A:SF462 2.7 5.8 1.0
FE2 A:SF462 2.8 6.1 1.0
HB3 A:CYS43 3.0 7.2 1.0
H A:CYS43 3.1 7.4 1.0
CB A:CYS43 3.2 6.0 1.0
HD12 A:ILE23 3.3 13.2 1.0
N A:CYS43 3.9 6.2 1.0
S3 A:SF462 3.9 6.0 1.0
HB2 A:CYS43 4.0 7.2 1.0
HD11 A:ILE32 4.0 9.2 1.0
HB2 A:TYR2 4.0 7.5 1.0
HD12 A:ILE32 4.0 9.2 1.0
CA A:CYS43 4.2 5.9 1.0
H A:GLY41 4.2 8.3 1.0
CD1 A:ILE23 4.2 8.8 1.0
H A:ALA42 4.3 7.8 1.0
HD13 A:ILE23 4.4 13.2 1.0
CD1 A:ILE32 4.4 6.1 1.0
HG12 A:ILE32 4.6 6.7 1.0
HB2 A:CYS18 4.6 7.8 1.0
N A:ALA42 4.6 6.5 1.0
HG13 A:ILE23 4.6 9.9 1.0
H A:ALA44 4.6 7.2 1.0
SG A:CYS40 4.7 7.4 1.0
SG A:CYS37 4.7 5.9 1.0
HA2 A:GLY41 4.7 8.3 1.0
CB A:TYR2 4.7 6.2 1.0
HB3 A:TYR2 4.8 7.5 1.0
SG A:CYS18 4.8 6.4 1.0
HA A:CYS43 4.8 7.0 1.0
HA A:CYS18 4.8 8.2 1.0
HB2 A:ALA42 4.8 11.5 1.0
N A:GLY41 4.8 7.0 1.0
HD11 A:ILE23 4.9 13.2 1.0
CG A:TYR2 4.9 6.0 1.0
CG1 A:ILE23 4.9 8.3 1.0
HD2 A:PRO19 4.9 9.4 1.0
HB3 A:PRO52 5.0 7.3 1.0
C A:GLY41 5.0 6.5 1.0
HD2 A:TYR2 5.0 8.2 1.0

Iron binding site 8 out of 8 in 2fdn

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Iron binding site 8 out of 8 in the 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of 2[4FE-4S] Ferredoxin From Clostridium Acidi-Urici within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe62

b:5.9
occ:1.00
FE4 A:SF462 0.0 5.9 1.0
S2 A:SF462 2.2 5.9 1.0
SG A:CYS18 2.3 6.4 1.0
S1 A:SF462 2.3 6.2 1.0
S3 A:SF462 2.3 6.0 1.0
FE1 A:SF462 2.7 5.8 1.0
FE2 A:SF462 2.7 6.1 1.0
FE3 A:SF462 2.7 5.7 1.0
HB2 A:CYS18 3.2 7.8 1.0
HD2 A:PRO19 3.2 9.4 1.0
CB A:CYS18 3.3 6.5 1.0
HA A:CYS18 3.4 8.2 1.0
HB2 A:ALA22 3.5 11.4 1.0
HG23 A:VAL20 3.8 11.3 1.0
S4 A:SF462 3.9 6.0 1.0
CA A:CYS18 3.9 6.8 1.0
HG13 A:ILE23 3.9 9.9 1.0
HD12 A:ILE23 4.0 13.2 1.0
HG21 A:VAL20 4.1 11.3 1.0
HB3 A:CYS18 4.1 7.8 1.0
CD A:PRO19 4.2 7.8 1.0
H A:ALA22 4.2 7.7 1.0
HA A:CYS37 4.3 6.9 1.0
H A:VAL20 4.3 9.3 1.0
HD13 A:ILE23 4.4 13.2 1.0
CG2 A:VAL20 4.4 7.5 1.0
CB A:ALA22 4.4 7.6 1.0
HB3 A:CYS43 4.4 7.2 1.0
CD1 A:ILE23 4.5 8.8 1.0
HB1 A:ALA22 4.5 11.4 1.0
SG A:CYS40 4.6 7.4 1.0
C A:CYS18 4.6 6.7 1.0
N A:PRO19 4.6 6.7 1.0
CG1 A:ILE23 4.6 8.3 1.0
HG2 A:PRO19 4.7 10.9 1.0
HD3 A:PRO19 4.7 9.4 1.0
HG22 A:VAL20 4.7 11.3 1.0
SG A:CYS43 4.8 6.0 1.0
SG A:CYS37 4.8 5.9 1.0
H A:ILE38 4.8 7.7 1.0
H A:CYS43 4.9 7.4 1.0
HB2 A:CYS37 4.9 7.2 1.0
N A:ALA22 4.9 6.4 1.0
HB3 A:ALA22 5.0 11.4 1.0

Reference:

Z.Dauter, K.S.Wilson, L.C.Sieker, J.Meyer, J.M.Moulis. Atomic Resolution (0.94 A) Structure of Clostridium Acidurici Ferredoxin. Detailed Geometry of [4FE-4S] Clusters in A Protein. Biochemistry V. 36 16065 1997.
ISSN: ISSN 0006-2960
PubMed: 9405040
DOI: 10.1021/BI972155Y
Page generated: Sat Aug 3 21:17:48 2024

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