Atomistry » Iron » PDB 2pgh-2q9u » 2pq7
Atomistry »
  Iron »
    PDB 2pgh-2q9u »
      2pq7 »

Iron in PDB 2pq7: Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution

Protein crystallography data

The structure of Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution, PDB code: 2pq7 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.44 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.518, 40.662, 37.789, 90.00, 95.32, 90.00
R / Rfree (%) 18.3 / 19.3

Other elements in 2pq7:

The structure of Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution (pdb code 2pq7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution, PDB code: 2pq7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2pq7

Go back to Iron Binding Sites List in 2pq7
Iron binding site 1 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution


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 Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe220

b:16.8
occ:1.00
O A:HOH236 2.0 18.8 1.0
OD1 A:ASP66 2.0 13.7 1.0
O3 A:PO4223 2.1 21.2 1.0
O3 A:PO4224 2.1 22.7 1.0
NE2 A:HIS111 2.2 15.7 1.0
NE2 A:HIS79 2.2 16.9 1.0
CG A:ASP66 3.1 16.7 1.0
CD2 A:HIS111 3.1 17.8 1.0
CE1 A:HIS79 3.2 18.2 1.0
CD2 A:HIS79 3.2 16.5 1.0
CE1 A:HIS111 3.2 13.5 1.0
P A:PO4224 3.3 51.6 1.0
P A:PO4223 3.3 28.7 1.0
OD2 A:ASP66 3.4 15.4 1.0
FE A:FE221 3.6 17.1 1.0
O2 A:PO4224 3.6 56.3 1.0
O4 A:PO4223 3.7 22.2 1.0
CD2 A:HIS65 4.0 13.9 1.0
O1 A:PO4224 4.1 46.4 1.0
O1 A:PO4223 4.2 34.7 1.0
ND1 A:HIS79 4.3 19.6 1.0
NE A:ARG69 4.3 32.5 1.0
CG A:HIS111 4.3 17.0 1.0
NE2 A:HIS65 4.3 13.8 1.0
ND1 A:HIS111 4.3 15.1 1.0
CG A:HIS79 4.4 15.6 1.0
O2 A:PO4223 4.4 33.6 1.0
CB A:ASP66 4.4 12.6 1.0
O4 A:PO4224 4.4 55.1 1.0
OD2 A:ASP131 4.5 21.1 1.0
NH2 A:ARG69 4.6 34.5 1.0
O A:HIS65 4.7 13.7 1.0
CA A:ASP66 4.8 11.8 1.0
CG A:ARG69 4.9 27.4 1.0
CG A:ARG112 4.9 35.5 1.0
OD1 A:ASP131 4.9 17.6 1.0
CZ A:ARG69 4.9 33.0 1.0

Iron binding site 2 out of 2 in 2pq7

Go back to Iron Binding Sites List in 2pq7
Iron binding site 2 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution


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 Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe221

b:17.1
occ:1.00
O A:HOH236 2.1 18.8 1.0
OD2 A:ASP66 2.1 15.4 1.0
OD1 A:ASP131 2.1 17.6 1.0
NE2 A:HIS36 2.2 18.2 1.0
NE2 A:HIS65 2.2 13.8 1.0
O4 A:PO4223 2.2 22.2 1.0
CG A:ASP66 3.1 16.7 1.0
CG A:ASP131 3.1 16.1 1.0
CE1 A:HIS36 3.1 18.8 1.0
CD2 A:HIS65 3.1 13.9 1.0
CD2 A:HIS36 3.1 19.2 1.0
CE1 A:HIS65 3.3 12.0 1.0
P A:PO4223 3.3 28.7 1.0
OD1 A:ASP66 3.4 13.7 1.0
OD2 A:ASP131 3.5 21.1 1.0
FE A:FE220 3.6 16.8 1.0
O3 A:PO4223 3.6 21.2 1.0
O2 A:PO4223 4.0 33.6 1.0
O A:HOH354 4.2 50.0 1.0
ND1 A:HIS36 4.2 17.9 1.0
CG A:HIS36 4.3 16.9 1.0
CG A:HIS65 4.3 14.5 1.0
ND1 A:HIS65 4.3 12.5 1.0
CB A:ASP131 4.3 14.0 1.0
O2 A:PO4224 4.3 56.3 1.0
CB A:ASP66 4.3 12.6 1.0
O1 A:PO4223 4.6 34.7 1.0
CG2 A:VAL40 4.6 15.4 1.0
NE2 A:HIS111 4.7 15.7 1.0
CD2 A:HIS111 4.8 17.8 1.0
O3 A:PO4224 4.9 22.7 1.0
O A:HOH258 4.9 26.3 1.0
CA A:ASP131 4.9 16.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Dec 13 14:51:20 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy