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Iron in PDB 7lhr: Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis

Enzymatic activity of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis:
1.8.4.8;

Protein crystallography data

The structure of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis, PDB code: 7lhr 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) 48.25 / 3.11
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.414, 77.414, 204.352, 90, 90, 90
R / Rfree (%) 20.7 / 24.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis (pdb code 7lhr). 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, PDB code: 7lhr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 7lhr

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Iron binding site 1 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:87.2
occ:1.00
 FE1 A:SF4301 0.0 87.2 1.0
S4 A:SF4301 2.3 82.2 1.0
SG A:CYS223 2.3 116.0 1.0
S2 A:SF4301 2.3 94.3 1.0
S3 A:SF4301 2.3 101.2 1.0
FE2 A:SF4301 2.7 93.1 1.0
FE3 A:SF4301 2.7 87.2 1.0
FE4 A:SF4301 2.7 98.5 1.0
CB A:CYS223 3.0 102.6 1.0
S1 A:SF4301 3.9 88.5 1.0
OG1 A:THR90 4.2 83.9 1.0
CA A:CYS223 4.4 95.2 1.0
CD2 A:TYR92 4.7 110.8 1.0
CB A:THR90 4.7 83.1 1.0
SG A:CYS226 4.7 114.4 1.0
CB A:TYR92 4.7 102.7 1.0
N A:CYS223 4.8 100.0 1.0
CG2 A:THR90 4.8 80.7 1.0
SG A:CYS141 4.8 99.0 1.0
SG A:CYS140 4.9 98.3 1.0

Iron binding site 2 out of 8 in 7lhr

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:93.1
occ:1.00
 FE2 A:SF4301 0.0 93.1 1.0
S3 A:SF4301 2.3 101.2 1.0
SG A:CYS141 2.3 99.0 1.0
S1 A:SF4301 2.3 88.5 1.0
S4 A:SF4301 2.3 82.2 1.0
FE4 A:SF4301 2.7 98.5 1.0
FE1 A:SF4301 2.7 87.2 1.0
FE3 A:SF4301 2.7 87.2 1.0
CB A:CYS141 3.4 91.2 1.0
CA A:CYS141 3.6 87.9 1.0
N A:CYS141 3.8 80.7 1.0
S2 A:SF4301 3.9 94.3 1.0
CE A:LYS145 4.3 109.0 1.0
O A:PRO137 4.4 146.2 1.0
C A:CYS140 4.4 81.0 1.0
NZ A:LYS145 4.6 95.9 1.0
SG A:CYS140 4.7 98.3 1.0
SG A:CYS223 4.7 116.0 1.0
SG A:CYS226 4.7 114.4 1.0
CB A:CYS140 4.8 94.5 1.0
CD A:LYS145 4.8 104.2 1.0
O A:CYS140 4.8 79.5 1.0
C A:CYS141 5.0 104.1 1.0

Iron binding site 3 out of 8 in 7lhr

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:87.2
occ:1.00
 FE3 A:SF4301 0.0 87.2 1.0
S2 A:SF4301 2.3 94.3 1.0
S4 A:SF4301 2.3 82.2 1.0
SG A:CYS140 2.3 98.3 1.0
S1 A:SF4301 2.3 88.5 1.0
FE1 A:SF4301 2.7 87.2 1.0
FE2 A:SF4301 2.7 93.1 1.0
FE4 A:SF4301 2.7 98.5 1.0
CB A:CYS140 3.2 94.5 1.0
S3 A:SF4301 3.9 101.2 1.0
CB A:PHE133 3.9 124.7 1.0
C A:CYS140 3.9 81.0 1.0
N A:CYS141 4.1 80.7 1.0
CA A:CYS140 4.2 84.7 1.0
O A:CYS140 4.2 79.5 1.0
CD2 A:TYR92 4.4 110.8 1.0
CE2 A:TYR92 4.6 117.5 1.0
CA A:CYS141 4.6 87.9 1.0
CA A:PHE133 4.6 129.8 1.0
SG A:CYS141 4.7 99.0 1.0
CD A:ARG144 4.8 98.5 1.0
SG A:CYS226 4.8 114.4 1.0
SG A:CYS223 4.9 116.0 1.0
O A:PRO137 4.9 146.2 1.0

Iron binding site 4 out of 8 in 7lhr

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:98.5
occ:1.00
 FE4 A:SF4301 0.0 98.5 1.0
S1 A:SF4301 2.3 88.5 1.0
SG A:CYS226 2.3 114.4 1.0
S3 A:SF4301 2.3 101.2 1.0
S2 A:SF4301 2.3 94.3 1.0
FE2 A:SF4301 2.7 93.1 1.0
FE3 A:SF4301 2.7 87.2 1.0
FE1 A:SF4301 2.7 87.2 1.0
CB A:CYS226 3.3 109.8 1.0
S4 A:SF4301 3.9 82.2 1.0
CB A:PHE133 4.0 124.7 1.0
CB A:CYS223 4.4 102.6 1.0
CA A:CYS226 4.6 113.9 1.0
SG A:CYS223 4.7 116.0 1.0
SG A:CYS141 4.7 99.0 1.0
N A:CYS226 4.7 111.3 1.0
SG A:CYS140 4.7 98.3 1.0
CG A:PHE133 4.9 127.4 1.0
CA A:PHE133 5.0 129.8 1.0

Iron binding site 5 out of 8 in 7lhr

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Iron binding site 5 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:86.7
occ:1.00
 FE1 B:SF4301 0.0 86.7 1.0
S4 B:SF4301 2.3 78.4 1.0
S3 B:SF4301 2.3 76.3 1.0
S2 B:SF4301 2.3 77.1 1.0
SG B:CYS223 2.3 89.5 1.0
FE2 B:SF4301 2.7 85.0 1.0
FE3 B:SF4301 2.7 81.5 1.0
FE4 B:SF4301 2.7 74.6 1.0
CB B:CYS223 3.0 77.4 1.0
S1 B:SF4301 3.9 83.6 1.0
CE B:LYS145 4.0 117.8 1.0
OG1 B:THR90 4.2 67.5 1.0
NZ B:LYS145 4.3 121.7 1.0
CA B:CYS223 4.4 65.3 1.0
CB B:THR90 4.6 68.5 1.0
SG B:CYS226 4.7 72.9 1.0
CG2 B:THR90 4.7 68.3 1.0
CB B:TYR92 4.8 95.6 1.0
SG B:CYS141 4.8 92.7 1.0
SG B:CYS140 4.8 111.9 1.0
N B:CYS223 4.9 69.0 1.0
CD2 B:TYR92 4.9 91.2 1.0
CD B:LYS145 4.9 100.7 1.0

Iron binding site 6 out of 8 in 7lhr

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:85.0
occ:1.00
 FE2 B:SF4301 0.0 85.0 1.0
SG B:CYS226 2.2 72.9 1.0
S4 B:SF4301 2.3 78.4 1.0
S3 B:SF4301 2.3 76.3 1.0
S1 B:SF4301 2.3 83.6 1.0
FE1 B:SF4301 2.7 86.7 1.0
FE4 B:SF4301 2.7 74.6 1.0
FE3 B:SF4301 2.7 81.5 1.0
CB B:CYS226 3.2 75.2 1.0
S2 B:SF4301 3.9 77.1 1.0
CB B:PHE133 4.0 106.2 1.0
CB B:CYS223 4.3 77.4 1.0
CA B:CYS226 4.5 75.3 1.0
N B:CYS226 4.6 72.9 1.0
SG B:CYS223 4.6 89.5 1.0
SG B:CYS141 4.7 92.7 1.0
SG B:CYS140 4.7 111.9 1.0
CG B:PHE133 4.9 106.3 1.0

Iron binding site 7 out of 8 in 7lhr

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:81.5
occ:1.00
 FE3 B:SF4301 0.0 81.5 1.0
SG B:CYS141 2.3 92.7 1.0
S2 B:SF4301 2.3 77.1 1.0
S1 B:SF4301 2.3 83.6 1.0
S4 B:SF4301 2.3 78.4 1.0
FE4 B:SF4301 2.7 74.6 1.0
FE1 B:SF4301 2.7 86.7 1.0
FE2 B:SF4301 2.7 85.0 1.0
CB B:CYS141 3.5 90.0 1.0
CA B:CYS141 3.6 82.7 1.0
N B:CYS141 3.8 86.3 1.0
S3 B:SF4301 3.9 76.3 1.0
CE B:LYS145 4.4 117.8 1.0
C B:CYS140 4.4 96.6 1.0
O B:PRO137 4.5 110.0 1.0
NZ B:LYS145 4.6 121.7 1.0
CD B:LYS145 4.6 100.7 1.0
SG B:CYS140 4.6 111.9 1.0
SG B:CYS226 4.7 72.9 1.0
SG B:CYS223 4.7 89.5 1.0
CB B:CYS140 4.8 112.3 1.0
O B:CYS140 4.8 100.4 1.0
CG B:LYS145 4.9 93.5 1.0

Iron binding site 8 out of 8 in 7lhr

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Iron binding site 8 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:74.6
occ:1.00
 FE4 B:SF4301 0.0 74.6 1.0
SG B:CYS140 2.3 111.9 1.0
S1 B:SF4301 2.3 83.6 1.0
S2 B:SF4301 2.3 77.1 1.0
S3 B:SF4301 2.3 76.3 1.0
FE3 B:SF4301 2.7 81.5 1.0
FE2 B:SF4301 2.7 85.0 1.0
FE1 B:SF4301 2.7 86.7 1.0
CB B:CYS140 3.2 112.3 1.0
S4 B:SF4301 3.9 78.4 1.0
C B:CYS140 3.9 96.6 1.0
CB B:PHE133 4.0 106.2 1.0
N B:CYS141 4.1 86.3 1.0
CA B:CYS140 4.2 106.4 1.0
O B:CYS140 4.2 100.4 1.0
CA B:CYS141 4.6 82.7 1.0
CD2 B:TYR92 4.6 91.2 1.0
SG B:CYS141 4.7 92.7 1.0
CA B:PHE133 4.7 105.8 1.0
CD B:ARG144 4.7 77.8 1.0
SG B:CYS226 4.8 72.9 1.0
SG B:CYS223 4.9 89.5 1.0
CE2 B:TYR92 4.9 94.6 1.0
O B:PRO137 4.9 110.0 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 06:58:31 2024

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