Atomistry » Iron » PDB 3uhg-3v2z » 3uv6
Atomistry »
  Iron »
    PDB 3uhg-3v2z »
      3uv6 »

Iron in PDB 3uv6: EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)

Enzymatic activity of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)

All present enzymatic activity of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301):
1.17.1.2;

Protein crystallography data

The structure of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301), PDB code: 3uv6 was solved by I.Span, K.Wang, W.Wang, Y.Zhang, A.Bacher, W.Eisenreich, C.Schulz, E.Oldfield, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.760, 80.470, 111.660, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 20.4

Iron Binding Sites:

The binding sites of Iron atom in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) (pdb code 3uv6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301), PDB code: 3uv6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 1 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe317

b:17.5
occ:1.00
 FE1 A:SF4317 0.0 17.5 1.0
S4 A:SF4317 2.2 18.4 1.0
S2 A:SF4317 2.3 20.2 1.0
SG A:CYS12 2.3 16.8 1.0
S3 A:SF4317 2.3 17.6 1.0
FE4 A:SF4317 2.6 18.2 1.0
FE2 A:SF4317 2.7 18.6 1.0
FE3 A:SF4317 2.8 27.6 1.0
CB A:CYS12 3.3 16.6 1.0
S1 A:SF4317 3.9 20.9 1.0
N A:GLY14 4.1 15.8 1.0
N A:VAL15 4.3 13.7 1.0
CA A:GLY14 4.3 15.6 1.0
C27 A:0CH318 4.4 25.2 1.0
C28 A:0CH318 4.4 22.8 1.0
CG2 A:VAL15 4.5 16.5 1.0
CB A:ALA199 4.5 14.6 1.0
CB A:ALA268 4.6 15.8 1.0
O33 A:0CH318 4.6 24.8 1.0
CA A:CYS12 4.7 15.9 1.0
SG A:CYS197 4.7 17.6 1.0
SG A:CYS96 4.7 18.0 1.0
C A:GLY14 4.8 14.0 1.0
C30 A:0CH318 4.9 28.8 1.0
C A:CYS12 4.9 15.6 1.0
N A:ALA13 4.9 15.5 1.0

Iron binding site 2 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 2 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe317

b:18.6
occ:1.00
 FE2 A:SF4317 0.0 18.6 1.0
S3 A:SF4317 2.3 17.6 1.0
S1 A:SF4317 2.3 20.9 1.0
SG A:CYS96 2.3 18.0 1.0
S4 A:SF4317 2.3 18.4 1.0
FE3 A:SF4317 2.6 27.6 1.0
FE1 A:SF4317 2.7 17.5 1.0
FE4 A:SF4317 2.7 18.2 1.0
CB A:CYS96 3.2 17.2 1.0
S2 A:SF4317 3.8 20.2 1.0
CA A:GLY14 4.1 15.6 1.0
O33 A:0CH318 4.2 24.8 1.0
CB A:LEU98 4.4 18.8 1.0
N A:GLY14 4.5 15.8 1.0
CD1 A:LEU98 4.5 18.9 1.0
CA A:CYS96 4.6 16.9 1.0
C13 A:0CH318 4.6 31.5 1.0
SG A:CYS12 4.7 16.8 1.0
CG A:LEU98 4.7 18.6 1.0
SG A:CYS197 4.8 17.6 1.0
N A:LEU98 5.0 18.8 1.0

Iron binding site 3 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 3 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe317

b:27.6
occ:1.00
 FE3 A:SF4317 0.0 27.6 1.0
O33 A:0CH318 2.0 24.8 1.0
S1 A:SF4317 2.3 20.9 1.0
S4 A:SF4317 2.3 18.4 1.0
S2 A:SF4317 2.4 20.2 1.0
FE2 A:SF4317 2.6 18.6 1.0
FE4 A:SF4317 2.6 18.2 1.0
FE1 A:SF4317 2.8 17.5 1.0
C13 A:0CH318 2.9 31.5 1.0
C27 A:0CH318 3.0 25.2 1.0
C30 A:0CH318 3.3 28.8 1.0
S3 A:SF4317 3.9 17.6 1.0
OG1 A:THR167 4.0 14.8 1.0
C28 A:0CH318 4.0 22.8 1.0
CG2 A:THR168 4.2 16.1 1.0
O A:HOH594 4.5 23.2 1.0
CB A:CYS96 4.5 17.2 1.0
SG A:CYS96 4.5 18.0 1.0
SG A:CYS197 4.7 17.6 1.0
CG2 A:VAL99 4.8 16.6 1.0
SG A:CYS12 4.9 16.8 1.0
CB A:THR167 5.0 15.4 1.0

Iron binding site 4 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 4 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe317

b:18.2
occ:1.00
 FE4 A:SF4317 0.0 18.2 1.0
S2 A:SF4317 2.2 20.2 1.0
S1 A:SF4317 2.3 20.9 1.0
SG A:CYS197 2.3 17.6 1.0
S3 A:SF4317 2.3 17.6 1.0
FE1 A:SF4317 2.6 17.5 1.0
FE3 A:SF4317 2.6 27.6 1.0
FE2 A:SF4317 2.7 18.6 1.0
CB A:CYS197 3.2 17.9 1.0
S4 A:SF4317 3.8 18.4 1.0
CB A:ALA199 4.2 14.6 1.0
OG1 A:THR167 4.4 14.8 1.0
O33 A:0CH318 4.5 24.8 1.0
OG1 A:THR200 4.5 16.0 1.0
CA A:CYS197 4.7 16.3 1.0
SG A:CYS12 4.7 16.8 1.0
CD1 A:LEU98 4.7 18.9 1.0
CB A:THR167 4.7 15.4 1.0
O A:HOH325 4.7 17.3 1.0
SG A:CYS96 4.8 18.0 1.0
CG2 A:THR168 4.8 16.1 1.0

Iron binding site 5 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 5 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe317

b:18.5
occ:1.00
 FE1 B:SF4317 0.0 18.5 1.0
S4 B:SF4317 2.2 19.5 1.0
SG B:CYS12 2.3 16.8 1.0
S2 B:SF4317 2.3 22.7 1.0
S3 B:SF4317 2.3 18.1 1.0
FE4 B:SF4317 2.6 20.5 1.0
FE2 B:SF4317 2.7 19.7 1.0
FE3 B:SF4317 2.8 29.5 1.0
CB B:CYS12 3.3 17.0 1.0
S1 B:SF4317 3.9 22.5 1.0
N B:GLY14 4.2 15.1 1.0
CA B:GLY14 4.3 13.9 1.0
N B:VAL15 4.3 16.1 1.0
CG2 B:VAL15 4.4 14.1 1.0
C28 B:0CH318 4.4 21.4 1.0
CB B:ALA199 4.5 17.3 1.0
CB B:ALA268 4.5 15.9 1.0
C27 B:0CH318 4.5 27.2 1.0
CA B:CYS12 4.6 16.1 1.0
SG B:CYS197 4.7 19.1 1.0
SG B:CYS96 4.7 18.8 1.0
C30 B:0CH318 4.7 35.5 1.0
O33 B:0CH318 4.7 27.4 1.0
C B:GLY14 4.8 14.7 1.0
C B:CYS12 4.9 15.5 1.0
N B:ALA13 4.9 15.3 1.0

Iron binding site 6 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 6 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe317

b:19.7
occ:1.00
 FE2 B:SF4317 0.0 19.7 1.0
S4 B:SF4317 2.3 19.5 1.0
S3 B:SF4317 2.3 18.1 1.0
S1 B:SF4317 2.3 22.5 1.0
SG B:CYS96 2.3 18.8 1.0
FE3 B:SF4317 2.6 29.5 1.0
FE4 B:SF4317 2.7 20.5 1.0
FE1 B:SF4317 2.7 18.5 1.0
CB B:CYS96 3.2 16.5 1.0
S2 B:SF4317 3.9 22.7 1.0
CA B:GLY14 4.1 13.9 1.0
O33 B:0CH318 4.2 27.4 1.0
CB B:LEU98 4.3 19.7 1.0
N B:GLY14 4.5 15.1 1.0
CD1 B:LEU98 4.5 20.5 1.0
CA B:CYS96 4.5 16.2 1.0
SG B:CYS12 4.6 16.8 1.0
CG B:LEU98 4.7 18.8 1.0
SG B:CYS197 4.8 19.1 1.0
C13 B:0CH318 4.8 31.7 1.0
C30 B:0CH318 5.0 35.5 1.0
N B:LEU98 5.0 18.6 1.0

Iron binding site 7 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 7 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe317

b:29.5
occ:1.00
 FE3 B:SF4317 0.0 29.5 1.0
O33 B:0CH318 2.1 27.4 1.0
S1 B:SF4317 2.3 22.5 1.0
S4 B:SF4317 2.3 19.5 1.0
S2 B:SF4317 2.4 22.7 1.0
FE2 B:SF4317 2.6 19.7 1.0
FE4 B:SF4317 2.6 20.5 1.0
FE1 B:SF4317 2.8 18.5 1.0
C13 B:0CH318 3.0 31.7 1.0
C30 B:0CH318 3.1 35.5 1.0
C27 B:0CH318 3.2 27.2 1.0
S3 B:SF4317 3.9 18.1 1.0
OG1 B:THR167 3.9 15.6 1.0
C28 B:0CH318 4.0 21.4 1.0
CG2 B:THR168 4.1 13.0 1.0
CB B:CYS96 4.5 16.5 1.0
O B:HOH605 4.5 25.2 1.0
SG B:CYS96 4.5 18.8 1.0
SG B:CYS197 4.7 19.1 1.0
CG2 B:VAL99 4.8 16.8 1.0
SG B:CYS12 4.9 16.8 1.0
CB B:THR167 4.9 16.2 1.0

Iron binding site 8 out of 8 in 3uv6

Go back to Iron Binding Sites List in 3uv6
Iron binding site 8 out of 8 in the EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of EC_ISPH in Complex with 4-Hydroxybutyl Diphosphate (1301) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe317

b:20.5
occ:1.00
 FE4 B:SF4317 0.0 20.5 1.0
S2 B:SF4317 2.3 22.7 1.0
S1 B:SF4317 2.3 22.5 1.0
SG B:CYS197 2.3 19.1 1.0
S3 B:SF4317 2.3 18.1 1.0
FE3 B:SF4317 2.6 29.5 1.0
FE1 B:SF4317 2.6 18.5 1.0
FE2 B:SF4317 2.7 19.7 1.0
CB B:CYS197 3.2 18.2 1.0
S4 B:SF4317 3.8 19.5 1.0
CB B:ALA199 4.2 17.3 1.0
OG1 B:THR167 4.4 15.6 1.0
O33 B:0CH318 4.5 27.4 1.0
OG1 B:THR200 4.5 16.0 1.0
CB B:THR167 4.7 16.2 1.0
CA B:CYS197 4.7 15.6 1.0
SG B:CYS12 4.7 16.8 1.0
O B:HOH327 4.7 22.3 1.0
CD1 B:LEU98 4.8 20.5 1.0
CG2 B:THR168 4.8 13.0 1.0
SG B:CYS96 4.8 18.8 1.0

Reference:

I.Span, K.Wang, W.Wang, Y.Zhang, A.Bacher, W.Eisenreich, K.Li, C.Schulz, E.Oldfield, M.Groll. Discovery of Acetylene Hydratase Activity of the Iron-Sulphur Protein Isph. Nat Commun V. 3 1042 2012.
ISSN: ESSN 2041-1723
PubMed: 22948824
DOI: 10.1038/NCOMMS2052
Page generated: Sun Aug 4 21:30:48 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