Iron in PDB 7kug: Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera

Enzymatic activity of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera

All present enzymatic activity of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera:
2.7.7.6;

Protein crystallography data

The structure of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera, PDB code: 7kug was solved by T.Wan, M.Horova, D.G.Beltran, S.R.Li, L.M.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.69 / 1.55
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 54.586, 61.028, 210.225, 90, 90, 90
R / Rfree (%) 18.4 / 20

Iron Binding Sites:

The binding sites of Iron atom in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera (pdb code 7kug). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera, PDB code: 7kug:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 7kug

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Iron binding site 1 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:20.6
occ:1.00
 FE1 A:SF4101 0.0 20.6 1.0
S4 A:SF4101 2.2 20.5 1.0
S2 A:SF4101 2.2 17.6 1.0
S3 A:SF4101 2.2 17.3 1.0
SG A:CYS46 2.3 20.0 1.0
FE3 A:SF4101 2.7 19.4 1.0
FE2 A:SF4101 2.7 19.6 1.0
FE4 A:SF4101 2.7 18.3 1.0
CB A:CYS46 3.0 19.9 1.0
S1 A:SF4101 3.7 18.8 1.0
CG1 A:ILE48 4.4 24.5 1.0
CA A:CYS46 4.5 20.6 1.0
CD A:PRO19 4.5 22.0 1.0
CB A:LEU18 4.7 26.7 1.0
SG A:CYS20 4.7 20.3 1.0
CB A:CYS52 4.7 19.2 1.0
SG A:CYS52 4.7 19.4 1.0
CA A:ARG49 4.7 20.6 1.0
N A:ARG49 4.8 23.8 1.0
SG A:CYS43 4.8 18.9 1.0
CD2 A:LEU18 4.9 35.5 1.0

Iron binding site 2 out of 8 in 7kug

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Iron binding site 2 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:19.6
occ:1.00
 FE2 A:SF4101 0.0 19.6 1.0
S1 A:SF4101 2.2 18.8 1.0
S4 A:SF4101 2.2 20.5 1.0
S3 A:SF4101 2.2 17.3 1.0
SG A:CYS20 2.3 20.3 1.0
FE1 A:SF4101 2.7 20.6 1.0
FE4 A:SF4101 2.7 18.3 1.0
FE3 A:SF4101 2.7 19.4 1.0
CB A:CYS20 3.1 18.0 1.0
S2 A:SF4101 3.8 17.6 1.0
N A:CYS20 4.1 20.0 1.0
CA A:CYS20 4.2 20.0 1.0
CG B:PRO517 4.4 24.2 1.0
CE1 B:HIS516 4.4 17.2 1.0
CB B:PRO517 4.4 22.0 1.0
CB A:LEU18 4.6 26.7 1.0
CD B:PRO517 4.8 22.9 1.0
SG A:CYS46 4.8 20.0 1.0
SG A:CYS43 4.8 18.9 1.0
SG A:CYS52 4.8 19.4 1.0
NE2 B:HIS516 4.9 17.6 1.0
NE1 A:TRP28 5.0 18.0 1.0

Iron binding site 3 out of 8 in 7kug

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Iron binding site 3 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:19.4
occ:1.00
 FE3 A:SF4101 0.0 19.4 1.0
S4 A:SF4101 2.2 20.5 1.0
S1 A:SF4101 2.2 18.8 1.0
S2 A:SF4101 2.2 17.6 1.0
SG A:CYS52 2.3 19.4 1.0
FE1 A:SF4101 2.7 20.6 1.0
FE2 A:SF4101 2.7 19.6 1.0
FE4 A:SF4101 2.8 18.3 1.0
CB A:CYS52 3.0 19.2 1.0
S3 A:SF4101 3.8 17.3 1.0
N A:GLY67 3.8 19.3 1.0
CG B:PRO517 4.5 24.2 1.0
CA A:GLY67 4.5 18.9 1.0
CA A:CYS52 4.5 20.4 1.0
SG A:CYS46 4.8 20.0 1.0
SG A:CYS43 4.8 18.9 1.0
C A:TRP66 4.8 18.1 1.0
CA A:TRP66 4.8 15.4 1.0
SG A:CYS20 4.9 20.3 1.0
CD B:PRO517 4.9 22.9 1.0

Iron binding site 4 out of 8 in 7kug

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Iron binding site 4 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:18.3
occ:1.00
 FE4 A:SF4101 0.0 18.3 1.0
S3 A:SF4101 2.2 17.3 1.0
S2 A:SF4101 2.2 17.6 1.0
S1 A:SF4101 2.2 18.8 1.0
SG A:CYS43 2.3 18.9 1.0
FE1 A:SF4101 2.7 20.6 1.0
FE2 A:SF4101 2.7 19.6 1.0
FE3 A:SF4101 2.8 19.4 1.0
CB A:CYS43 3.2 17.7 1.0
S4 A:SF4101 3.8 20.5 1.0
CA A:CYS43 3.8 17.4 1.0
N A:GLY67 4.1 19.3 1.0
NE1 A:TRP28 4.3 18.0 1.0
N A:GLY68 4.5 18.4 1.0
CB A:CYS46 4.6 19.9 1.0
CA A:GLY67 4.6 18.9 1.0
N A:CYS43 4.7 19.5 1.0
SG A:CYS52 4.7 19.4 1.0
CD1 A:TRP28 4.7 17.7 1.0
CB A:CYS20 4.8 18.0 1.0
SG A:CYS46 4.8 20.0 1.0
SG A:CYS20 4.8 20.3 1.0
O A:CYS43 4.8 18.0 1.0
C A:CYS43 4.9 17.6 1.0

Iron binding site 5 out of 8 in 7kug

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Iron binding site 5 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe101

b:20.9
occ:1.00
 FE1 C:SF4101 0.0 20.9 1.0
S3 C:SF4101 2.2 22.0 1.0
S2 C:SF4101 2.2 20.5 1.0
S4 C:SF4101 2.3 22.1 1.0
SG C:CYS46 2.3 22.6 1.0
FE3 C:SF4101 2.7 19.6 1.0
FE2 C:SF4101 2.8 21.5 1.0
FE4 C:SF4101 2.8 19.5 1.0
CB C:CYS46 3.0 19.6 1.0
S1 C:SF4101 3.8 19.0 1.0
CG1 C:ILE48 4.4 30.3 1.0
CA C:CYS46 4.5 21.6 1.0
CD C:PRO19 4.6 24.5 1.0
SG C:CYS20 4.7 21.9 1.0
CB C:CYS52 4.7 21.7 1.0
CB C:LEU18 4.7 30.0 1.0
CA C:ARG49 4.7 23.7 0.5
SG C:CYS52 4.7 19.5 1.0
CA C:ARG49 4.8 23.4 0.6
SG C:CYS43 4.8 19.4 1.0
N C:ARG49 4.9 25.0 1.0
CD1 C:LEU18 5.0 37.7 1.0
CD1 C:ILE48 5.0 30.0 1.0
C C:ILE48 5.0 25.6 1.0

Iron binding site 6 out of 8 in 7kug

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Iron binding site 6 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe101

b:21.5
occ:1.00
 FE2 C:SF4101 0.0 21.5 1.0
SG C:CYS20 2.2 21.9 1.0
S1 C:SF4101 2.2 19.0 1.0
S3 C:SF4101 2.3 22.0 1.0
S4 C:SF4101 2.3 22.1 1.0
FE1 C:SF4101 2.8 20.9 1.0
FE3 C:SF4101 2.8 19.6 1.0
FE4 C:SF4101 2.8 19.5 1.0
CB C:CYS20 3.0 19.3 1.0
S2 C:SF4101 3.8 20.5 1.0
N C:CYS20 4.0 20.2 1.0
CA C:CYS20 4.1 20.1 1.0
CG D:PRO517 4.3 27.2 1.0
CE1 D:HIS516 4.4 20.3 1.0
CB D:PRO517 4.5 27.6 1.0
CB C:LEU18 4.7 30.0 1.0
SG C:CYS46 4.8 22.6 1.0
CD D:PRO517 4.8 23.9 1.0
SG C:CYS43 4.8 19.4 1.0
NE1 C:TRP28 4.9 18.9 1.0
SG C:CYS52 4.9 19.5 1.0
NE2 D:HIS516 4.9 18.8 1.0

Iron binding site 7 out of 8 in 7kug

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Iron binding site 7 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe101

b:19.6
occ:1.00
 FE3 C:SF4101 0.0 19.6 1.0
S1 C:SF4101 2.2 19.0 1.0
S4 C:SF4101 2.2 22.1 1.0
S2 C:SF4101 2.2 20.5 1.0
SG C:CYS52 2.3 19.5 1.0
FE1 C:SF4101 2.7 20.9 1.0
FE4 C:SF4101 2.7 19.5 1.0
FE2 C:SF4101 2.8 21.5 1.0
CB C:CYS52 3.1 21.7 1.0
S3 C:SF4101 3.8 22.0 1.0
N C:GLY67 3.8 20.1 1.0
CG D:PRO517 4.4 27.2 1.0
CA C:GLY67 4.5 20.3 1.0
CA C:CYS52 4.6 23.2 1.0
SG C:CYS43 4.8 19.4 1.0
SG C:CYS20 4.8 21.9 1.0
SG C:CYS46 4.8 22.6 1.0
C C:TRP66 4.8 18.9 1.0
CA C:TRP66 4.8 18.5 1.0
CD D:PRO517 4.9 23.9 1.0

Iron binding site 8 out of 8 in 7kug

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Iron binding site 8 out of 8 in the Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Fe-S Cluster-Bound Transcription Activator WHIB7 in Complex with the SIGMAAR4-Rnap Beta Flap Tip Chimera within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe101

b:19.5
occ:1.00
 FE4 C:SF4101 0.0 19.5 1.0
S2 C:SF4101 2.2 20.5 1.0
S3 C:SF4101 2.2 22.0 1.0
S1 C:SF4101 2.2 19.0 1.0
SG C:CYS43 2.3 19.4 1.0
FE3 C:SF4101 2.7 19.6 1.0
FE1 C:SF4101 2.8 20.9 1.0
FE2 C:SF4101 2.8 21.5 1.0
CB C:CYS43 3.3 19.2 1.0
CA C:CYS43 3.8 19.6 1.0
S4 C:SF4101 3.9 22.1 1.0
NE1 C:TRP28 4.2 18.9 1.0
N C:GLY67 4.2 20.1 1.0
N C:GLY68 4.5 17.9 1.0
CB C:CYS46 4.6 19.6 1.0
CD1 C:TRP28 4.7 18.0 1.0
CA C:GLY67 4.7 20.3 1.0
N C:CYS43 4.7 18.6 1.0
SG C:CYS52 4.7 19.5 1.0
SG C:CYS46 4.8 22.6 1.0
CB C:CYS20 4.8 19.3 1.0
SG C:CYS20 4.8 21.9 1.0
O C:CYS43 4.9 20.7 1.0
C C:CYS43 4.9 20.3 1.0

Reference:

T.Wan, M.Horova, D.G.Beltran, S.R.Li, L.M.Zhang. A Redox-Sensitive Transcriptional Factor Mol.Cell 2021.
ISSN: ISSN 1097-2765
DOI: 10.1016/J.MOLCEL.2021.06.002
Page generated: Sat Jul 10 15:29:51 2021

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