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Iron in PDB 7lhu: Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp

Enzymatic activity of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp

All present enzymatic activity of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp:
1.8.4.8;

Protein crystallography data

The structure of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp, PDB code: 7lhu was solved by P.R.Feliciano, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.50 / 3.09
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.7, 77.7, 206.363, 90, 90, 90
R / Rfree (%) 23 / 26.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp (pdb code 7lhu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp, PDB code: 7lhu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 7lhu

Go back to Iron Binding Sites List in 7lhu
Iron binding site 1 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:97.4
occ:1.00
 FE1 A:SF4301 0.0 97.4 1.0
SG A:CYS223 2.3 109.8 1.0
S4 A:SF4301 2.3 96.9 1.0
S2 A:SF4301 2.3 98.7 1.0
S3 A:SF4301 2.3 100.9 1.0
FE2 A:SF4301 2.7 99.9 1.0
FE4 A:SF4301 2.7 101.4 1.0
FE3 A:SF4301 2.7 96.9 1.0
CB A:CYS223 3.0 109.0 1.0
S1 A:SF4301 3.9 100.4 1.0
OG1 A:THR90 4.2 104.3 1.0
CA A:CYS223 4.4 107.6 1.0
CB A:THR90 4.5 102.8 1.0
CD A:LYS145 4.6 108.3 1.0
CG2 A:THR90 4.6 103.8 1.0
SG A:CYS226 4.8 114.9 1.0
CD2 A:TYR92 4.8 110.7 1.0
N A:CYS223 4.8 108.2 1.0
SG A:CYS141 4.9 109.6 1.0
CB A:TYR92 4.9 108.2 1.0
SG A:CYS140 4.9 109.8 1.0

Iron binding site 2 out of 8 in 7lhu

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Iron binding site 2 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:99.9
occ:1.00
 FE2 A:SF4301 0.0 99.9 1.0
SG A:CYS141 2.3 109.6 1.0
S3 A:SF4301 2.3 100.9 1.0
S1 A:SF4301 2.3 100.4 1.0
S4 A:SF4301 2.3 96.9 1.0
FE4 A:SF4301 2.7 101.4 1.0
FE1 A:SF4301 2.7 97.4 1.0
FE3 A:SF4301 2.7 96.9 1.0
CB A:CYS141 3.5 107.0 1.0
CA A:CYS141 3.6 105.5 1.0
N A:CYS141 3.8 106.9 1.0
S2 A:SF4301 3.9 98.7 1.0
CD A:LYS145 4.1 108.3 1.0
O A:PRO137 4.3 116.7 1.0
C A:CYS140 4.4 108.9 1.0
NZ A:LYS145 4.7 112.3 1.0
SG A:CYS140 4.7 109.8 1.0
SG A:CYS226 4.7 114.9 1.0
CB A:CYS140 4.7 111.0 1.0
SG A:CYS223 4.8 109.8 1.0
O A:CYS140 4.8 107.6 1.0
CE A:LYS145 4.9 111.6 1.0

Iron binding site 3 out of 8 in 7lhu

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Iron binding site 3 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:96.9
occ:1.00
 FE3 A:SF4301 0.0 96.9 1.0
SG A:CYS140 2.3 109.8 1.0
S4 A:SF4301 2.3 96.9 1.0
S2 A:SF4301 2.3 98.7 1.0
S1 A:SF4301 2.3 100.4 1.0
FE2 A:SF4301 2.7 99.9 1.0
FE1 A:SF4301 2.7 97.4 1.0
FE4 A:SF4301 2.7 101.4 1.0
CB A:CYS140 3.2 111.0 1.0
S3 A:SF4301 3.9 100.9 1.0
C A:CYS140 3.9 108.9 1.0
N A:CYS141 4.1 106.9 1.0
CB A:PHE133 4.1 120.6 1.0
CA A:CYS140 4.1 109.8 1.0
O A:CYS140 4.1 107.6 1.0
CA A:CYS141 4.6 105.5 1.0
CD2 A:TYR92 4.7 110.7 1.0
SG A:CYS141 4.7 109.6 1.0
CA A:PHE133 4.7 121.1 1.0
SG A:CYS226 4.8 114.9 1.0
SG A:CYS223 4.9 109.8 1.0
CD A:ARG144 4.9 105.8 1.0
CE2 A:TYR92 4.9 110.9 1.0
O A:PRO137 4.9 116.7 1.0

Iron binding site 4 out of 8 in 7lhu

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Iron binding site 4 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:101.4
occ:1.00
 FE4 A:SF4301 0.0 101.4 1.0
SG A:CYS226 2.3 114.9 1.0
S1 A:SF4301 2.3 100.4 1.0
S3 A:SF4301 2.3 100.9 1.0
S2 A:SF4301 2.3 98.7 1.0
FE2 A:SF4301 2.7 99.9 1.0
FE1 A:SF4301 2.7 97.4 1.0
FE3 A:SF4301 2.7 96.9 1.0
CB A:CYS226 3.2 114.4 1.0
S4 A:SF4301 3.9 96.9 1.0
CB A:PHE133 3.9 120.6 1.0
CB A:CYS223 4.2 109.0 1.0
CA A:CYS226 4.5 114.2 1.0
SG A:CYS223 4.6 109.8 1.0
SG A:CYS141 4.7 109.6 1.0
SG A:CYS140 4.7 109.8 1.0
N A:CYS226 4.7 110.2 1.0
CA A:PHE133 4.9 121.1 1.0
CG A:PHE133 5.0 120.8 1.0

Iron binding site 5 out of 8 in 7lhu

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Iron binding site 5 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:92.9
occ:1.00
 FE1 B:SF4301 0.0 92.9 1.0
S4 B:SF4301 2.3 90.3 1.0
SG B:CYS223 2.3 96.9 1.0
S2 B:SF4301 2.3 93.0 1.0
S3 B:SF4301 2.3 95.1 1.0
FE3 B:SF4301 2.7 93.1 1.0
FE2 B:SF4301 2.7 91.0 1.0
FE4 B:SF4301 2.7 93.7 1.0
CB B:CYS223 2.9 94.4 1.0
S1 B:SF4301 3.9 93.3 1.0
OG1 B:THR90 4.2 101.5 1.0
CA B:CYS223 4.4 90.5 1.0
CE B:LYS145 4.5 109.2 1.0
CB B:THR90 4.5 102.1 1.0
CG2 B:THR90 4.6 102.9 1.0
NZ B:LYS145 4.7 110.5 1.0
N B:CYS223 4.7 91.2 1.0
SG B:CYS226 4.8 98.3 1.0
CD B:LYS145 4.8 107.2 1.0
SG B:CYS141 4.8 101.6 1.0
SG B:CYS140 4.9 109.0 1.0
CB B:TYR92 4.9 103.9 1.0
CB B:CYS226 5.0 95.4 1.0
CD2 B:TYR92 5.0 104.5 1.0

Iron binding site 6 out of 8 in 7lhu

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Iron binding site 6 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:91.0
occ:1.00
 FE2 B:SF4301 0.0 91.0 1.0
SG B:CYS226 2.3 98.3 1.0
S3 B:SF4301 2.3 95.1 1.0
S1 B:SF4301 2.3 93.3 1.0
S4 B:SF4301 2.3 90.3 1.0
FE1 B:SF4301 2.7 92.9 1.0
FE3 B:SF4301 2.7 93.1 1.0
FE4 B:SF4301 2.7 93.7 1.0
CB B:CYS226 3.2 95.4 1.0
S2 B:SF4301 3.9 93.0 1.0
CB B:PHE133 4.0 110.2 1.0
CB B:CYS223 4.2 94.4 1.0
CA B:CYS226 4.5 96.9 1.0
N B:CYS226 4.6 97.7 1.0
SG B:CYS223 4.6 96.9 1.0
SG B:CYS141 4.7 101.6 1.0
SG B:CYS140 4.7 109.0 1.0
CG B:PHE133 4.9 109.8 1.0

Iron binding site 7 out of 8 in 7lhu

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Iron binding site 7 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:93.1
occ:1.00
 FE3 B:SF4301 0.0 93.1 1.0
SG B:CYS141 2.3 101.6 1.0
S2 B:SF4301 2.3 93.0 1.0
S4 B:SF4301 2.3 90.3 1.0
S1 B:SF4301 2.3 93.3 1.0
FE1 B:SF4301 2.7 92.9 1.0
FE4 B:SF4301 2.7 93.7 1.0
FE2 B:SF4301 2.7 91.0 1.0
CB B:CYS141 3.5 104.3 1.0
CA B:CYS141 3.6 104.1 1.0
N B:CYS141 3.7 104.5 1.0
S3 B:SF4301 3.9 95.1 1.0
C B:CYS140 4.4 107.7 1.0
O B:PRO137 4.4 115.1 1.0
CD B:LYS145 4.4 107.2 1.0
SG B:CYS140 4.6 109.0 1.0
CB B:CYS140 4.7 106.2 1.0
SG B:CYS226 4.7 98.3 1.0
O B:CYS140 4.7 108.0 1.0
SG B:CYS223 4.8 96.9 1.0
NZ B:LYS145 4.8 110.5 1.0
CE B:LYS145 4.8 109.2 1.0

Iron binding site 8 out of 8 in 7lhu

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Iron binding site 8 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Product Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:93.7
occ:1.00
 FE4 B:SF4301 0.0 93.7 1.0
SG B:CYS140 2.3 109.0 1.0
S1 B:SF4301 2.3 93.3 1.0
S2 B:SF4301 2.3 93.0 1.0
S3 B:SF4301 2.3 95.1 1.0
FE3 B:SF4301 2.7 93.1 1.0
FE1 B:SF4301 2.7 92.9 1.0
FE2 B:SF4301 2.7 91.0 1.0
CB B:CYS140 3.2 106.2 1.0
S4 B:SF4301 3.9 90.3 1.0
C B:CYS140 3.9 107.7 1.0
CB B:PHE133 4.1 110.2 1.0
N B:CYS141 4.2 104.5 1.0
O B:CYS140 4.2 108.0 1.0
CA B:CYS140 4.2 108.5 1.0
CD2 B:TYR92 4.6 104.5 1.0
CD B:ARG144 4.6 107.4 1.0
CA B:CYS141 4.7 104.1 1.0
SG B:CYS141 4.7 101.6 1.0
SG B:CYS226 4.8 98.3 1.0
SG B:CYS223 4.9 96.9 1.0
CA B:PHE133 4.9 110.0 1.0
CE2 B:TYR92 4.9 105.2 1.0
CG B:ARG144 5.0 108.4 1.0
O B:PRO137 5.0 115.1 1.0

Reference:

P.R.Feliciano, K.S.Carroll, C.L.Drennan. Crystal Structure of the [4FE-4S] Cluster-Containing Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis . Acs Omega V. 6 13756 2021.
ISSN: ESSN 2470-1343
PubMed: 34095667
DOI: 10.1021/ACSOMEGA.1C01043
Page generated: Thu Aug 8 06:58:46 2024

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