Atomistry » Iron » PDB 3x20-3zjo » 3zgn
Atomistry »
  Iron »
    PDB 3x20-3zjo »
      3zgn »

Iron in PDB 3zgn: Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway

Enzymatic activity of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway

All present enzymatic activity of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway:
1.17.1.2;

Protein crystallography data

The structure of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway, PDB code: 3zgn was solved by F.Borel, E.Barbier, S.Kratsutsky, K.Janthawornpong, M.Rohmer, C.Dalepoulter, J.L.Ferrer, M.Seemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.87 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.390, 80.570, 70.620, 90.00, 94.46, 90.00
R / Rfree (%) 20.5 / 25.8

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway (pdb code 3zgn). 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 Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway, PDB code: 3zgn:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 1 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1311

b:15.7
occ:1.00
FE1 A:SF41311 0.0 15.7 1.0
S2 A:SF41311 2.1 16.7 1.0
S3 A:SF41311 2.2 16.4 1.0
S4 A:SF41311 2.2 16.1 1.0
S2 A:10G1310 2.4 21.8 1.0
FE2 A:SF41311 2.8 13.0 1.0
FE4 A:SF41311 2.8 14.7 1.0
FE3 A:SF41311 2.9 14.5 1.0
C3 A:10G1310 3.1 21.9 1.0
C1 A:10G1310 3.3 21.3 1.0
C4 A:10G1310 3.4 20.3 1.0
C5 A:10G1310 3.5 20.7 1.0
S1 A:SF41311 3.7 16.3 1.0
OG1 A:THR167 3.9 18.0 1.0
C6 A:10G1310 4.3 19.8 1.0
CG2 A:THR168 4.5 19.3 1.0
CB A:CYS96 4.6 21.1 1.0
CB A:THR167 4.7 15.9 1.0
CG2 A:VAL99 4.7 20.6 1.0
SG A:CYS96 4.8 20.4 1.0
SG A:CYS197 4.9 16.4 1.0
SG A:CYS12 5.0 13.7 1.0

Iron binding site 2 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 2 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1311

b:13.0
occ:1.00
FE2 A:SF41311 0.0 13.0 1.0
S1 A:SF41311 2.1 16.3 1.0
S4 A:SF41311 2.2 16.1 1.0
S3 A:SF41311 2.2 16.4 1.0
SG A:CYS96 2.3 20.4 1.0
FE1 A:SF41311 2.8 15.7 1.0
FE4 A:SF41311 2.8 14.7 1.0
FE3 A:SF41311 2.8 14.5 1.0
CB A:CYS96 3.1 21.1 1.0
S2 A:SF41311 3.7 16.7 1.0
CA A:GLY14 3.9 17.9 1.0
N A:GLY14 4.3 19.1 1.0
CB A:LEU98 4.3 22.7 1.0
CD1 A:LEU98 4.3 23.4 1.0
S2 A:10G1310 4.5 21.8 1.0
CA A:CYS96 4.5 22.5 1.0
CG A:LEU98 4.6 23.4 1.0
SG A:CYS12 4.8 13.7 1.0
C A:GLY14 5.0 16.8 1.0

Iron binding site 3 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 3 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1311

b:14.5
occ:1.00
FE3 A:SF41311 0.0 14.5 1.0
S2 A:SF41311 2.1 16.7 1.0
S4 A:SF41311 2.1 16.1 1.0
S1 A:SF41311 2.2 16.3 1.0
SG A:CYS197 2.4 16.4 1.0
FE4 A:SF41311 2.8 14.7 1.0
FE2 A:SF41311 2.8 13.0 1.0
FE1 A:SF41311 2.9 15.7 1.0
CB A:CYS197 3.1 18.5 1.0
S3 A:SF41311 3.7 16.4 1.0
CB A:ALA199 4.3 10.9 1.0
CD1 A:LEU98 4.5 23.4 1.0
CA A:CYS197 4.6 18.2 1.0
OG1 A:THR200 4.6 14.4 1.0
CB A:THR167 4.7 15.9 1.0
OG1 A:THR167 4.7 18.0 1.0
O A:HOH2171 4.8 12.0 1.0
SG A:CYS12 4.8 13.7 1.0
S2 A:10G1310 4.9 21.8 1.0
SG A:CYS96 5.0 20.4 1.0
O A:THR167 5.0 11.9 1.0

Iron binding site 4 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 4 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1311

b:14.7
occ:1.00
FE4 A:SF41311 0.0 14.7 1.0
S3 A:SF41311 2.1 16.4 1.0
S1 A:SF41311 2.2 16.3 1.0
S2 A:SF41311 2.2 16.7 1.0
SG A:CYS12 2.3 13.7 1.0
FE3 A:SF41311 2.8 14.5 1.0
FE2 A:SF41311 2.8 13.0 1.0
FE1 A:SF41311 2.8 15.7 1.0
CB A:CYS12 3.3 11.5 1.0
S4 A:SF41311 3.7 16.1 1.0
N A:GLY14 4.2 19.1 1.0
CA A:GLY14 4.2 17.9 1.0
N A:VAL15 4.2 14.4 1.0
CG2 A:VAL15 4.4 10.3 1.0
C6 A:10G1310 4.5 19.8 1.0
CB A:ALA268 4.6 19.9 1.0
CA A:CYS12 4.6 11.6 1.0
C5 A:10G1310 4.7 20.7 1.0
C A:GLY14 4.7 16.8 1.0
CB A:ALA199 4.8 10.9 1.0
C3 A:10G1310 4.8 21.9 1.0
SG A:CYS96 4.9 20.4 1.0
C A:CYS12 4.9 11.5 1.0
C4 A:10G1310 4.9 20.3 1.0
SG A:CYS197 4.9 16.4 1.0
N A:ALA13 5.0 14.6 1.0

Iron binding site 5 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 5 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1310

b:16.9
occ:1.00
FE1 B:SF41310 0.0 16.9 1.0
S4 B:SF41310 2.1 18.7 1.0
S2 B:SF41310 2.1 18.8 1.0
S3 B:SF41310 2.1 18.4 1.0
S2 B:10G1311 2.4 22.2 1.0
FE2 B:SF41310 2.9 14.9 1.0
FE4 B:SF41310 2.9 16.7 1.0
FE3 B:SF41310 2.9 16.4 1.0
C1 B:10G1311 3.1 21.1 1.0
C5 B:10G1311 3.1 20.9 1.0
C3 B:10G1311 3.2 20.4 1.0
S1 B:SF41310 3.7 19.4 1.0
OG1 B:THR167 3.9 19.3 1.0
C6 B:10G1311 4.3 20.0 1.0
C4 B:10G1311 4.4 21.2 1.0
CG2 B:THR168 4.4 21.3 1.0
CB B:THR167 4.6 18.0 1.0
CB B:CYS96 4.7 17.9 1.0
SG B:CYS96 4.8 18.5 1.0
CG2 B:VAL99 4.8 24.0 1.0
SG B:CYS197 4.8 14.2 1.0
SG B:CYS12 5.0 15.8 1.0

Iron binding site 6 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 6 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1310

b:14.9
occ:1.00
FE2 B:SF41310 0.0 14.9 1.0
S4 B:SF41310 2.1 18.7 1.0
S3 B:SF41310 2.1 18.4 1.0
S1 B:SF41310 2.1 19.4 1.0
SG B:CYS96 2.3 18.5 1.0
FE1 B:SF41310 2.9 16.9 1.0
FE3 B:SF41310 2.9 16.4 1.0
FE4 B:SF41310 2.9 16.7 1.0
CB B:CYS96 3.1 17.9 1.0
S2 B:SF41310 3.7 18.8 1.0
CA B:GLY14 3.9 15.4 1.0
CB B:LEU98 4.1 18.1 1.0
CD1 B:LEU98 4.2 18.9 1.0
N B:GLY14 4.3 15.2 1.0
CG B:LEU98 4.3 17.6 1.0
CA B:CYS96 4.6 20.5 1.0
S2 B:10G1311 4.6 22.2 1.0
SG B:CYS12 4.9 15.8 1.0
N B:LEU98 4.9 18.3 1.0
C B:GLY14 5.0 19.1 1.0

Iron binding site 7 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 7 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1310

b:16.4
occ:1.00
FE3 B:SF41310 0.0 16.4 1.0
S2 B:SF41310 2.1 18.8 1.0
S4 B:SF41310 2.1 18.7 1.0
S1 B:SF41310 2.1 19.4 1.0
SG B:CYS197 2.4 14.2 1.0
FE4 B:SF41310 2.9 16.7 1.0
FE2 B:SF41310 2.9 14.9 1.0
FE1 B:SF41310 2.9 16.9 1.0
CB B:CYS197 3.0 16.3 1.0
S3 B:SF41310 3.7 18.4 1.0
CD1 B:LEU98 4.3 18.9 1.0
CB B:ALA199 4.4 12.3 1.0
CA B:CYS197 4.5 14.5 1.0
OG1 B:THR200 4.5 19.0 1.0
CB B:THR167 4.7 18.0 1.0
O B:HOH2163 4.7 12.5 1.0
OG1 B:THR167 4.7 19.3 1.0
SG B:CYS12 4.9 15.8 1.0
CB B:LEU98 4.9 18.1 1.0
S2 B:10G1311 4.9 22.2 1.0
SG B:CYS96 5.0 18.5 1.0
N B:ALA199 5.0 17.1 1.0

Iron binding site 8 out of 8 in 3zgn

Go back to Iron Binding Sites List in 3zgn
Iron binding site 8 out of 8 in the Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structures of Escherichia Coli Isph in Complex with Tmbpp A Potent Inhibitor of the Methylerythritol Phosphate Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1310

b:16.7
occ:1.00
FE4 B:SF41310 0.0 16.7 1.0
S1 B:SF41310 2.1 19.4 1.0
S2 B:SF41310 2.1 18.8 1.0
S3 B:SF41310 2.1 18.4 1.0
SG B:CYS12 2.3 15.8 1.0
FE3 B:SF41310 2.9 16.4 1.0
FE1 B:SF41310 2.9 16.9 1.0
FE2 B:SF41310 2.9 14.9 1.0
CB B:CYS12 3.2 14.7 1.0
S4 B:SF41310 3.7 18.7 1.0
N B:GLY14 4.2 15.2 1.0
N B:VAL15 4.2 19.1 1.0
CA B:GLY14 4.3 15.4 1.0
C5 B:10G1311 4.3 20.9 1.0
CG2 B:VAL15 4.4 12.5 1.0
C6 B:10G1311 4.5 20.0 1.0
CB B:ALA268 4.6 15.7 1.0
CA B:CYS12 4.6 14.7 1.0
C3 B:10G1311 4.7 20.4 1.0
C B:GLY14 4.7 19.1 1.0
CB B:ALA199 4.8 12.3 1.0
SG B:CYS197 4.9 14.2 1.0
O B:HOH2163 4.9 12.5 1.0
C B:CYS12 4.9 15.4 1.0
SG B:CYS96 4.9 18.5 1.0
N B:ALA13 5.0 16.8 1.0

Reference:

F.Borel, E.Barbier, S.Krasutsky, K.Janthawornpong, P.Chaignon, C.D.Poulter, J.L.Ferrer, M.Seemann. Further Insight Into Crystal Structures of Escherichia Coli Isph/Lytb in Complex with Two Potent Inhibitors of the Mep Pathway: A Starting Point For Rational Design of New Antimicrobials. Chembiochem V. 18 2137 2017.
ISSN: ESSN 1439-7633
PubMed: 28862365
DOI: 10.1002/CBIC.201700363
Page generated: Sun Aug 4 23:04:32 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy