Iron in PDB 6nhl: Crystal Structure of Quee From Escherichia Coli

Enzymatic activity of Crystal Structure of Quee From Escherichia Coli

All present enzymatic activity of Crystal Structure of Quee From Escherichia Coli:
4.3.99.3;

Protein crystallography data

The structure of Crystal Structure of Quee From Escherichia Coli, PDB code: 6nhl was solved by T.A.J.Grell, B.N.Bell, C.Nguyen, D.P.Dowling, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.85 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.264, 74.493, 103.714, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 22.6

Other elements in 6nhl:

The structure of Crystal Structure of Quee From Escherichia Coli also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Quee From Escherichia Coli (pdb code 6nhl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 9 binding sites of Iron where determined in the Crystal Structure of Quee From Escherichia Coli, PDB code: 6nhl:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iron binding site 1 out of 9 in 6nhl

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Iron binding site 1 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:30.5
occ:1.00
 NE2 A:HIS0 2.1 26.8 1.0
NE2 A:HIS-10 2.2 44.6 1.0
O A:HOH477 2.2 33.5 1.0
O A:HOH494 2.3 33.8 1.0
CE1 A:HIS0 3.0 35.0 1.0
CE1 A:HIS-10 3.1 46.5 1.0
CD2 A:HIS0 3.2 28.9 1.0
CD2 A:HIS-10 3.2 51.8 1.0
ND1 A:HIS0 4.1 25.5 1.0
ND1 A:HIS-10 4.2 55.8 1.0
CG A:HIS0 4.3 27.4 1.0
CG A:HIS-10 4.3 57.1 1.0

Iron binding site 2 out of 9 in 6nhl

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Iron binding site 2 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:25.4
occ:1.00
 FE1 A:SF4302 0.0 25.4 1.0
S2 A:SF4302 2.3 30.4 1.0
SG A:CYS31 2.3 27.5 1.0
S3 A:SF4302 2.3 26.8 1.0
S4 A:SF4302 2.3 28.4 1.0
FE3 A:SF4302 2.7 25.2 1.0
FE4 A:SF4302 2.7 26.2 1.0
FE2 A:SF4302 2.7 26.1 1.0
CB A:CYS31 3.4 22.4 1.0
S1 A:SF4302 3.9 25.8 1.0
CB A:VAL33 4.1 27.7 1.0
NE1 A:TRP44 4.2 44.8 1.0
O A:HOH435 4.2 23.1 1.0
C A:GLY94 4.4 25.8 1.0
O A:GLY94 4.5 22.4 1.0
N A:GLU95 4.5 18.3 1.0
CG2 A:VAL33 4.6 26.2 1.0
CD1 A:TRP44 4.6 35.3 1.0
N A:GLY34 4.7 27.7 1.0
SG A:CYS35 4.8 34.1 1.0
CA A:CYS31 4.8 20.3 1.0
SG A:CYS38 4.8 27.7 1.0
CB A:GLU95 4.8 14.6 1.0
CA A:GLY94 4.8 14.3 1.0
N A:VAL33 4.8 30.0 1.0
CA A:VAL33 5.0 26.5 1.0
CG1 A:VAL33 5.0 23.9 1.0

Iron binding site 3 out of 9 in 6nhl

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Iron binding site 3 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:26.1
occ:1.00
 FE2 A:SF4302 0.0 26.1 1.0
S4 A:SF4302 2.3 28.4 1.0
S1 A:SF4302 2.3 25.8 1.0
S3 A:SF4302 2.3 26.8 1.0
FE4 A:SF4302 2.7 26.2 1.0
FE3 A:SF4302 2.7 25.2 1.0
FE1 A:SF4302 2.7 25.4 1.0
S2 A:SF4302 3.9 30.4 1.0
O A:GLY94 3.9 22.4 1.0
O A:HOH469 4.0 33.2 1.0
C A:GLY94 4.6 25.8 1.0
OG1 A:THR40 4.7 36.9 1.0
SG A:CYS38 4.8 27.7 1.0
SG A:CYS31 4.8 27.5 1.0
SG A:CYS35 4.8 34.1 1.0
N A:GLY94 4.9 23.8 1.0

Iron binding site 4 out of 9 in 6nhl

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Iron binding site 4 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:25.2
occ:1.00
 FE3 A:SF4302 0.0 25.2 1.0
S2 A:SF4302 2.3 30.4 1.0
SG A:CYS35 2.3 34.1 1.0
S1 A:SF4302 2.3 25.8 1.0
S4 A:SF4302 2.3 28.4 1.0
FE4 A:SF4302 2.7 26.2 1.0
FE1 A:SF4302 2.7 25.4 1.0
FE2 A:SF4302 2.7 26.1 1.0
CB A:CYS35 3.1 28.6 1.0
S3 A:SF4302 3.9 26.8 1.0
N A:CYS35 3.9 27.3 1.0
CA A:CYS35 4.1 28.9 1.0
CG1 A:VAL33 4.3 23.9 1.0
CB A:VAL33 4.4 27.7 1.0
CD A:LYS138 4.7 41.8 1.0
SG A:CYS31 4.7 27.5 1.0
SG A:CYS38 4.7 27.7 1.0
CB A:CYS38 4.9 33.9 1.0
N A:GLY34 5.0 27.7 1.0

Iron binding site 5 out of 9 in 6nhl

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Iron binding site 5 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:26.2
occ:1.00
 FE4 A:SF4302 0.0 26.2 1.0
SG A:CYS38 2.3 27.7 1.0
S2 A:SF4302 2.3 30.4 1.0
S1 A:SF4302 2.3 25.8 1.0
S3 A:SF4302 2.3 26.8 1.0
FE3 A:SF4302 2.7 25.2 1.0
FE2 A:SF4302 2.7 26.1 1.0
FE1 A:SF4302 2.7 25.4 1.0
CB A:CYS38 3.2 33.9 1.0
NE1 A:TRP44 3.7 44.8 1.0
S4 A:SF4302 3.9 28.4 1.0
OG1 A:THR40 3.9 36.9 1.0
CA A:CYS38 4.3 36.8 1.0
CE2 A:TRP44 4.6 31.4 1.0
CD1 A:TRP44 4.6 35.3 1.0
CB A:CYS35 4.7 28.6 1.0
SG A:CYS35 4.7 34.1 1.0
CZ2 A:TRP44 4.8 34.2 1.0
SG A:CYS31 4.8 27.5 1.0
O A:THR40 4.9 34.5 1.0
O A:HOH469 4.9 33.2 1.0

Iron binding site 6 out of 9 in 6nhl

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Iron binding site 6 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:22.1
occ:1.00
 FE1 B:SF4302 0.0 22.1 1.0
S3 B:SF4302 2.3 26.1 1.0
S2 B:SF4302 2.3 25.5 1.0
SG B:CYS31 2.3 25.0 1.0
S4 B:SF4302 2.3 22.5 1.0
FE4 B:SF4302 2.7 25.2 1.0
FE2 B:SF4302 2.7 26.7 1.0
FE3 B:SF4302 2.7 24.1 1.0
CB B:CYS31 3.5 20.2 1.0
S1 B:SF4302 3.9 33.0 1.0
CB B:VAL33 4.0 34.8 1.0
NE1 B:TRP44 4.3 28.5 1.0
CG2 B:VAL33 4.4 29.5 1.0
N B:GLY34 4.7 29.4 1.0
C B:GLY94 4.7 28.6 1.0
O B:HOH436 4.7 31.6 1.0
CD1 B:TRP44 4.7 25.3 1.0
N B:VAL33 4.8 37.3 1.0
SG B:CYS35 4.8 31.0 1.0
O B:GLY94 4.8 20.8 1.0
SG B:CYS38 4.8 27.9 1.0
N B:GLU95 4.8 19.8 1.0
CA B:CYS31 4.8 15.3 1.0
CA B:VAL33 4.9 34.0 1.0
CG1 B:VAL33 4.9 29.6 1.0
CB B:GLU95 5.0 15.5 1.0

Iron binding site 7 out of 9 in 6nhl

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Iron binding site 7 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:26.7
occ:1.00
 FE2 B:SF4302 0.0 26.7 1.0
S4 B:SF4302 2.3 22.5 1.0
S1 B:SF4302 2.3 33.0 1.0
S3 B:SF4302 2.3 26.1 1.0
FE4 B:SF4302 2.7 25.2 1.0
FE3 B:SF4302 2.7 24.1 1.0
FE1 B:SF4302 2.7 22.1 1.0
S2 B:SF4302 3.9 25.5 1.0
O B:GLY94 4.4 20.8 1.0
O B:HOH430 4.5 36.5 1.0
O B:HOH440 4.6 35.3 1.0
CE B:LYS138 4.7 18.7 1.0
SG B:CYS31 4.7 25.0 1.0
O B:HOH442 4.8 30.8 1.0
SG B:CYS38 4.8 27.9 1.0
SG B:CYS35 4.9 31.0 1.0
C B:GLY94 4.9 28.6 1.0

Iron binding site 8 out of 9 in 6nhl

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Iron binding site 8 out of 9 in the Crystal Structure of Quee From Escherichia Coli


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 Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:24.1
occ:1.00
 FE3 B:SF4302 0.0 24.1 1.0
S1 B:SF4302 2.3 33.0 1.0
S4 B:SF4302 2.3 22.5 1.0
SG B:CYS35 2.3 31.0 1.0
S2 B:SF4302 2.3 25.5 1.0
FE4 B:SF4302 2.7 25.2 1.0
FE2 B:SF4302 2.7 26.7 1.0
FE1 B:SF4302 2.7 22.1 1.0
CB B:CYS35 3.2 28.7 1.0
S3 B:SF4302 3.9 26.1 1.0
N B:CYS35 4.1 39.8 1.0
CA B:CYS35 4.3 34.7 1.0
CE B:LYS138 4.3 18.7 1.0
CG1 B:VAL33 4.3 29.6 1.0
CG B:LYS138 4.3 40.4 1.0
CB B:VAL33 4.4 34.8 1.0
CD B:LYS138 4.5 33.6 1.0
CB B:CYS38 4.7 41.6 1.0
SG B:CYS38 4.7 27.9 1.0
SG B:CYS31 4.8 25.0 1.0
NZ B:LYS138 4.9 22.0 1.0

Iron binding site 9 out of 9 in 6nhl

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Iron binding site 9 out of 9 in the Crystal Structure of Quee From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Quee From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:25.2
occ:1.00
 FE4 B:SF4302 0.0 25.2 1.0
S2 B:SF4302 2.3 25.5 1.0
S3 B:SF4302 2.3 26.1 1.0
S1 B:SF4302 2.3 33.0 1.0
SG B:CYS38 2.3 27.9 1.0
FE3 B:SF4302 2.7 24.1 1.0
FE1 B:SF4302 2.7 22.1 1.0
FE2 B:SF4302 2.7 26.7 1.0
CB B:CYS38 3.2 41.6 1.0
O B:HOH430 3.7 36.5 1.0
NE1 B:TRP44 3.7 28.5 1.0
S4 B:SF4302 3.9 22.5 1.0
OG1 B:THR40 3.9 29.8 1.0
CA B:CYS38 4.2 36.3 1.0
CD1 B:TRP44 4.6 25.3 1.0
SG B:CYS35 4.6 31.0 1.0
CB B:CYS35 4.7 28.7 1.0
CE2 B:TRP44 4.7 29.8 1.0
SG B:CYS31 4.8 25.0 1.0
O B:THR40 4.9 24.8 1.0
CZ2 B:TRP44 4.9 22.4 1.0

Reference:

T.A.J.Grell, B.N.Bell, C.Nguyen, D.P.Dowling, N.A.Bruender, V.Bandarian, C.L.Drennan. Crystal Structure of Adomet Radical Enzyme 7-Carboxy-7-Deazaguanine Synthase From Escherichia Coli Suggests How Modifications Near [4FE-4S] Cluster Engender Flavodoxin Specificity. Protein Sci. V. 28 202 2019.
ISSN: ESSN 1469-896X
PubMed: 30341796
DOI: 10.1002/PRO.3529
Page generated: Sun Dec 13 16:46:00 2020

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