Atomistry » Iron » PDB 7kvp-7lvz » 7lhs
Atomistry »
  Iron »
    PDB 7kvp-7lvz »
      7lhs »

Iron in PDB 7lhs: Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps

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

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

Protein crystallography data

The structure of Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps, PDB code: 7lhs 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) 48.34 / 3.11
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.502, 77.502, 205.31, 90, 90, 90
R / Rfree (%) 21.9 / 26.4

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 Substrate Aps (pdb code 7lhs). 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 Substrate Aps, PDB code: 7lhs:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 7lhs

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


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

b:109.5
occ:1.00
 FE1 A:SF4301 0.0 109.5 1.0
SG A:CYS223 2.3 127.7 1.0
S4 A:SF4301 2.3 106.0 1.0
S3 A:SF4301 2.3 107.9 1.0
S2 A:SF4301 2.3 129.3 1.0
FE4 A:SF4301 2.7 136.9 1.0
FE3 A:SF4301 2.7 122.7 1.0
FE2 A:SF4301 2.7 121.5 1.0
CB A:CYS223 3.0 126.4 1.0
S1 A:SF4301 3.9 113.8 1.0
OG1 A:THR90 4.1 102.4 1.0
CA A:CYS223 4.4 118.7 1.0
CD A:LYS145 4.6 109.5 1.0
CB A:THR90 4.6 107.6 1.0
CG2 A:THR90 4.7 105.6 1.0
SG A:CYS226 4.7 114.3 1.0
CB A:TYR92 4.8 114.1 1.0
N A:CYS223 4.8 110.7 1.0
SG A:CYS141 4.9 105.2 1.0
SG A:CYS140 4.9 104.7 1.0
CD2 A:TYR92 4.9 133.0 1.0
CB A:CYS226 5.0 111.3 1.0

Iron binding site 2 out of 8 in 7lhs

Go back to Iron Binding Sites List in 7lhs
Iron binding site 2 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps


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

b:121.5
occ:1.00
 FE2 A:SF4301 0.0 121.5 1.0
SG A:CYS141 2.3 105.2 1.0
S3 A:SF4301 2.3 107.9 1.0
S4 A:SF4301 2.3 106.0 1.0
S1 A:SF4301 2.3 113.8 1.0
FE3 A:SF4301 2.7 122.7 1.0
FE4 A:SF4301 2.7 136.9 1.0
FE1 A:SF4301 2.7 109.5 1.0
CB A:CYS141 3.5 88.0 1.0
CA A:CYS141 3.5 88.0 1.0
N A:CYS141 3.8 84.0 1.0
S2 A:SF4301 3.9 129.3 1.0
CD A:LYS145 4.0 109.5 1.0
C A:CYS140 4.4 92.1 1.0
O A:PRO137 4.5 140.1 1.0
SG A:CYS140 4.7 104.7 1.0
SG A:CYS226 4.7 114.3 1.0
O A:CYS140 4.7 81.0 1.0
CG A:LYS145 4.7 111.4 1.0
CB A:CYS140 4.8 121.0 1.0
SG A:CYS223 4.8 127.7 1.0
NZ A:LYS145 4.8 109.0 1.0
CE A:LYS145 4.9 116.5 1.0
C A:CYS141 5.0 104.4 1.0

Iron binding site 3 out of 8 in 7lhs

Go back to Iron Binding Sites List in 7lhs
Iron binding site 3 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps


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

b:122.7
occ:1.00
 FE3 A:SF4301 0.0 122.7 1.0
SG A:CYS140 2.3 104.7 1.0
S2 A:SF4301 2.3 129.3 1.0
S1 A:SF4301 2.3 113.8 1.0
S4 A:SF4301 2.3 106.0 1.0
FE2 A:SF4301 2.7 121.5 1.0
FE1 A:SF4301 2.7 109.5 1.0
FE4 A:SF4301 2.7 136.9 1.0
CB A:CYS140 3.2 121.0 1.0
S3 A:SF4301 3.9 107.9 1.0
C A:CYS140 3.9 92.1 1.0
N A:CYS141 4.1 84.0 1.0
O A:CYS140 4.1 81.0 1.0
CA A:CYS140 4.1 112.7 1.0
CB A:PHE133 4.3 127.6 1.0
CA A:CYS141 4.6 88.0 1.0
CD A:ARG144 4.7 97.9 1.0
SG A:CYS141 4.7 105.2 1.0
CA A:PHE133 4.8 130.2 1.0
SG A:CYS223 4.9 127.7 1.0
SG A:CYS226 4.9 114.3 1.0
CD2 A:TYR92 4.9 133.0 1.0
CE2 A:TYR92 5.0 130.6 1.0
CG A:ARG144 5.0 101.6 1.0

Iron binding site 4 out of 8 in 7lhs

Go back to Iron Binding Sites List in 7lhs
Iron binding site 4 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps


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

b:136.9
occ:1.00
 FE4 A:SF4301 0.0 136.9 1.0
SG A:CYS226 2.3 114.3 1.0
S1 A:SF4301 2.3 113.8 1.0
S3 A:SF4301 2.3 107.9 1.0
S2 A:SF4301 2.3 129.3 1.0
FE1 A:SF4301 2.7 109.5 1.0
FE2 A:SF4301 2.7 121.5 1.0
FE3 A:SF4301 2.7 122.7 1.0
CB A:CYS226 3.3 111.3 1.0
CB A:PHE133 3.8 127.6 1.0
S4 A:SF4301 3.9 106.0 1.0
CB A:CYS223 4.3 126.4 1.0
CA A:CYS226 4.6 123.0 1.0
SG A:CYS223 4.6 127.7 1.0
SG A:CYS141 4.7 105.2 1.0
N A:CYS226 4.7 127.3 1.0
SG A:CYS140 4.7 104.7 1.0
CG A:PHE133 4.8 137.9 1.0
CA A:PHE133 4.8 130.2 1.0

Iron binding site 5 out of 8 in 7lhs

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


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

b:113.3
occ:1.00
 FE1 B:SF4301 0.0 113.3 1.0
SG B:CYS223 2.3 109.9 1.0
S4 B:SF4301 2.3 112.7 1.0
S3 B:SF4301 2.3 127.4 1.0
S2 B:SF4301 2.3 101.8 1.0
FE2 B:SF4301 2.7 98.3 1.0
FE3 B:SF4301 2.7 107.4 1.0
FE4 B:SF4301 2.7 99.3 1.0
CB B:CYS223 2.9 89.1 1.0
S1 B:SF4301 3.9 92.4 1.0
OG1 B:THR90 4.1 82.1 1.0
CE B:LYS145 4.3 117.2 1.0
CA B:CYS223 4.4 78.8 1.0
CB B:THR90 4.6 85.2 1.0
CG2 B:THR90 4.7 82.1 1.0
SG B:CYS226 4.7 94.1 1.0
CD2 B:TYR92 4.8 107.8 1.0
CB B:TYR92 4.8 104.3 1.0
N B:CYS223 4.8 76.5 1.0
CD B:LYS145 4.8 101.2 1.0
NZ B:LYS145 4.8 121.3 1.0
SG B:CYS141 4.8 103.4 1.0
SG B:CYS140 4.9 109.9 1.0
CB B:CYS226 4.9 86.6 1.0

Iron binding site 6 out of 8 in 7lhs

Go back to Iron Binding Sites List in 7lhs
Iron binding site 6 out of 8 in the Crystal Structure of Adenosine-5'-Phosphosulfate Reductase From Mycobacterium Tuberculosis in A Complex with Substrate Aps


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

b:98.3
occ:1.00
 FE2 B:SF4301 0.0 98.3 1.0
SG B:CYS226 2.3 94.1 1.0
S1 B:SF4301 2.3 92.4 1.0
S3 B:SF4301 2.3 127.4 1.0
S4 B:SF4301 2.3 112.7 1.0
FE1 B:SF4301 2.7 113.3 1.0
FE3 B:SF4301 2.7 107.4 1.0
FE4 B:SF4301 2.7 99.3 1.0
CB B:CYS226 3.2 86.6 1.0
S2 B:SF4301 3.9 101.8 1.0
CB B:PHE133 3.9 117.8 1.0
CB B:CYS223 4.3 89.1 1.0
CA B:CYS226 4.5 98.6 1.0
SG B:CYS223 4.6 109.9 1.0
N B:CYS226 4.7 107.5 1.0
SG B:CYS141 4.7 103.4 1.0
SG B:CYS140 4.7 109.9 1.0
CG B:PHE133 4.9 111.3 1.0
CG B:PRO225 4.9 84.8 1.0
CA B:PHE133 4.9 113.4 1.0

Iron binding site 7 out of 8 in 7lhs

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


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

b:107.4
occ:1.00
 FE3 B:SF4301 0.0 107.4 1.0
SG B:CYS141 2.3 103.4 1.0
S1 B:SF4301 2.3 92.4 1.0
S4 B:SF4301 2.3 112.7 1.0
S2 B:SF4301 2.3 101.8 1.0
FE4 B:SF4301 2.7 99.3 1.0
FE2 B:SF4301 2.7 98.3 1.0
FE1 B:SF4301 2.7 113.3 1.0
CB B:CYS141 3.5 105.6 1.0
CA B:CYS141 3.5 105.5 1.0
N B:CYS141 3.8 110.2 1.0
S3 B:SF4301 3.9 127.4 1.0
C B:CYS140 4.4 116.2 1.0
CD B:LYS145 4.4 101.2 1.0
O B:PRO137 4.5 102.7 1.0
SG B:CYS140 4.6 109.9 1.0
CE B:LYS145 4.7 117.2 1.0
SG B:CYS226 4.7 94.1 1.0
O B:CYS140 4.8 116.2 1.0
SG B:CYS223 4.8 109.9 1.0
CB B:CYS140 4.8 126.0 1.0
C B:CYS141 5.0 113.0 1.0
CG B:LYS145 5.0 97.7 1.0

Iron binding site 8 out of 8 in 7lhs

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


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

b:99.3
occ:1.00
 FE4 B:SF4301 0.0 99.3 1.0
SG B:CYS140 2.3 109.9 1.0
S1 B:SF4301 2.3 92.4 1.0
S3 B:SF4301 2.3 127.4 1.0
S2 B:SF4301 2.3 101.8 1.0
FE3 B:SF4301 2.7 107.4 1.0
FE2 B:SF4301 2.7 98.3 1.0
FE1 B:SF4301 2.7 113.3 1.0
CB B:CYS140 3.3 126.0 1.0
S4 B:SF4301 3.9 112.7 1.0
C B:CYS140 3.9 116.2 1.0
N B:CYS141 4.1 110.2 1.0
O B:CYS140 4.2 116.2 1.0
CA B:CYS140 4.2 122.8 1.0
CB B:PHE133 4.2 117.8 1.0
CD2 B:TYR92 4.5 107.8 1.0
CA B:CYS141 4.6 105.5 1.0
CD B:ARG144 4.6 86.7 1.0
CE2 B:TYR92 4.7 108.1 1.0
SG B:CYS141 4.7 103.4 1.0
SG B:CYS226 4.8 94.1 1.0
CA B:PHE133 4.9 113.4 1.0
SG B:CYS223 4.9 109.9 1.0
CG B:ARG144 4.9 77.2 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 06:58:43 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy