Atomistry » Iodine » PDB 1q0t-1v1f » 1qi9
Atomistry »
  Iodine »
    PDB 1q0t-1v1f »
      1qi9 »

Iodine in PDB 1qi9: X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution

Enzymatic activity of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution

All present enzymatic activity of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution:
1.11.1.10;

Protein crystallography data

The structure of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution, PDB code: 1qi9 was solved by M.Weyand, H.-J.Hecht, M.Kiess, M.F.Liaud, H.Vilter, D.Schomburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.00 / 2.05
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 113.190, 113.190, 272.300, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 21.9

Other elements in 1qi9:

The structure of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution also contains other interesting chemical elements:

Vanadium (V) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution (pdb code 1qi9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution, PDB code: 1qi9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 1qi9

Go back to Iodine Binding Sites List in 1qi9
Iodine binding site 1 out of 5 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I601

b:11.6
occ:0.10
 CE1 A:TYR398 2.1 11.6 1.0
NZ A:LYS362 2.9 30.4 1.0
CD1 A:TYR398 3.0 10.6 1.0
CZ A:TYR398 3.0 11.7 1.0
OH A:TYR398 3.2 12.9 1.0
O A:HOH1327 3.5 29.3 1.0
CG A:LYS362 3.6 22.1 1.0
CD A:LYS362 3.8 27.2 1.0
CE A:LYS362 3.9 28.6 1.0
CG2 A:ILE361 4.1 9.0 1.0
CG1 A:VAL396 4.1 13.5 1.0
CG A:TYR398 4.3 7.6 1.0
CE2 A:TYR398 4.3 10.8 1.0
CA A:LYS362 4.8 15.8 1.0
N A:LYS362 4.8 14.0 1.0
CB A:LYS362 4.8 17.9 1.0
CD2 A:TYR398 4.8 9.8 1.0
CB A:ILE361 4.8 9.6 1.0
O A:VAL396 4.9 11.1 1.0
CE1 A:HIS358 4.9 9.1 1.0
C A:ILE361 4.9 13.2 1.0
ND1 A:HIS358 4.9 7.6 1.0
O A:ILE361 5.0 13.3 1.0

Iodine binding site 2 out of 5 in 1qi9

Go back to Iodine Binding Sites List in 1qi9
Iodine binding site 2 out of 5 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I602

b:18.6
occ:0.50
 CE1 A:TYR447 2.1 18.8 1.0
CZ A:TYR447 3.0 19.7 1.0
CD1 A:TYR447 3.0 17.0 1.0
OH A:TYR447 3.1 19.9 1.0
CG A:MET153 3.6 15.1 1.0
O A:PRO448 3.9 9.9 1.0
OD1 A:ASP450 4.0 12.7 1.0
O A:HOH1042 4.0 19.9 1.0
CA A:ASP449 4.0 7.7 1.0
CB A:MET153 4.1 12.9 1.0
CG1 A:ILE456 4.2 11.8 1.0
CE2 A:TYR447 4.3 20.0 1.0
O A:HOH1316 4.3 35.3 1.0
CG A:TYR447 4.3 15.9 1.0
O A:HOH1111 4.4 25.9 1.0
C A:PRO448 4.6 8.8 1.0
N A:ASP450 4.6 6.0 1.0
C A:ASP449 4.7 6.9 1.0
SD A:MET153 4.7 22.7 1.0
CB A:ASP449 4.7 9.0 1.0
N A:ASP449 4.8 7.8 1.0
CB A:ILE456 4.8 11.2 1.0
O A:HOH1409 4.8 45.1 1.0
CD2 A:TYR447 4.8 18.4 1.0
CE A:MET153 4.9 9.8 1.0
CG A:ASP450 4.9 10.9 1.0
O A:HOH773 5.0 9.1 1.0

Iodine binding site 3 out of 5 in 1qi9

Go back to Iodine Binding Sites List in 1qi9
Iodine binding site 3 out of 5 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I603

b:24.5
occ:0.50
 CE2 A:TYR447 2.1 20.0 1.0
O A:HOH995 3.0 30.3 1.0
CZ A:TYR447 3.0 19.7 1.0
CD2 A:TYR447 3.0 18.4 1.0
OH A:TYR447 3.2 19.9 1.0
O A:ASP457 3.4 15.2 1.0
CA A:PHE458 3.6 14.8 1.0
O A:HOH1315 3.6 40.2 1.0
CD1 A:PHE458 3.9 11.9 1.0
C A:ASP457 4.1 14.2 1.0
CB A:PHE458 4.2 13.6 1.0
N A:ARG459 4.2 21.2 1.0
N A:PHE458 4.2 13.5 1.0
CE1 A:TYR447 4.3 18.8 1.0
CG A:TYR447 4.3 15.9 1.0
O A:HOH1341 4.3 27.9 1.0
CG2 A:ILE456 4.4 10.5 1.0
C A:PHE458 4.5 17.8 1.0
CG A:PHE458 4.5 11.9 1.0
CD1 A:TYR447 4.8 17.0 1.0
CE1 A:PHE458 4.9 11.4 1.0
O A:ILE456 4.9 9.8 1.0

Iodine binding site 4 out of 5 in 1qi9

Go back to Iodine Binding Sites List in 1qi9
Iodine binding site 4 out of 5 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I601

b:18.2
occ:0.50
 CE1 B:TYR447 2.1 18.3 1.0
CZ B:TYR447 3.0 19.0 1.0
CD1 B:TYR447 3.0 16.6 1.0
OH B:TYR447 3.1 19.9 1.0
O B:HOH1282 3.4 28.0 1.0
O B:HOH1000 3.6 12.3 1.0
CG B:MET153 3.6 11.7 1.0
O B:HOH1001 3.7 30.7 1.0
CA B:ASP449 4.0 9.9 1.0
O B:PRO448 4.0 6.8 1.0
CB B:MET153 4.2 9.5 1.0
OD1 B:ASP450 4.2 12.0 1.0
CE2 B:TYR447 4.3 18.7 1.0
CG1 B:ILE456 4.3 11.0 1.0
CG B:TYR447 4.3 14.9 1.0
O B:HOH1369 4.5 28.8 1.0
N B:ASP450 4.6 7.6 1.0
O B:HOH1467 4.6 60.9 1.0
C B:ASP449 4.6 9.9 1.0
O B:HOH1465 4.6 51.6 1.0
CB B:ASP449 4.7 10.1 1.0
C B:PRO448 4.7 8.8 1.0
N B:ASP449 4.7 9.8 1.0
CD2 B:TYR447 4.8 17.7 1.0
CB B:ILE456 4.8 10.0 1.0
SD B:MET153 5.0 16.8 1.0

Iodine binding site 5 out of 5 in 1qi9

Go back to Iodine Binding Sites List in 1qi9
Iodine binding site 5 out of 5 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I602

b:21.4
occ:0.50
 CE2 B:TYR447 2.1 18.7 1.0
O B:HOH878 3.0 12.2 1.0
CZ B:TYR447 3.0 19.0 1.0
CD2 B:TYR447 3.0 17.7 1.0
OH B:TYR447 3.2 19.9 1.0
O B:ASP457 3.3 7.7 1.0
O B:HOH1006 3.5 20.1 1.0
CA B:PHE458 3.8 7.2 1.0
C B:ASP457 4.1 7.8 1.0
CD1 B:PHE458 4.2 7.0 1.0
CE1 B:TYR447 4.3 18.3 1.0
CG B:TYR447 4.3 14.9 1.0
O B:HOH1465 4.3 51.6 1.0
CG2 B:ILE456 4.4 9.6 1.0
CB B:PHE458 4.4 7.0 1.0
N B:PHE458 4.4 8.0 1.0
N B:ARG459 4.6 4.5 1.0
C B:PHE458 4.7 5.6 1.0
CD1 B:TYR447 4.8 16.6 1.0
O B:HOH1082 4.8 23.4 1.0
CG B:PHE458 4.8 6.3 1.0
O B:ILE456 4.8 4.7 1.0

Reference:

M.Weyand, H.Hecht, M.Kiess, M.Liaud, H.Vilter, D.Schomburg. X-Ray Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution. J.Mol.Biol. V. 293 595 1999.
ISSN: ISSN 0022-2836
PubMed: 10543953
DOI: 10.1006/JMBI.1999.3179
Page generated: Sun Aug 11 12:45:01 2024

Last articles

Mg in 4Y52
Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy