Atomistry » Iodine » PDB 1lkr-1pvh » 1orw
Atomistry »
  Iodine »
    PDB 1lkr-1pvh »
      1orw »

Iodine in PDB 1orw: Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor

Enzymatic activity of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor

All present enzymatic activity of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor, PDB code: 1orw was solved by M.Engel, T.Hoffmann, L.Wagner, M.Wermann, U.Heiser, R.Kiefersauer, R.Huber, W.Bode, H.U.Demuth, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.79 / 2.84
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 61.970, 117.710, 133.560, 112.65, 94.81, 91.17
R / Rfree (%) 18.7 / 24.6

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor (pdb code 1orw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor, PDB code: 1orw:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 1orw

Go back to Iodine Binding Sites List in 1orw
Iodine binding site 1 out of 4 in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I801

b:97.9
occ:1.00
I A:PHI801 0.0 97.9 1.0
CZ A:PHI801 2.1 80.4 1.0
NH2 A:ARG358 2.6 44.6 1.0
CZ A:ARG358 3.0 45.4 1.0
CE2 A:PHI801 3.0 77.1 1.0
CE1 A:PHI801 3.0 76.8 1.0
NH1 A:ARG358 3.4 44.8 1.0
CB A:PHE357 3.6 29.5 1.0
NE A:ARG358 3.7 45.0 1.0
OG A:SER209 3.8 11.7 1.0
CG A:PHE357 4.1 29.4 1.0
O A:HOH929 4.2 21.5 1.0
CD2 A:PHI801 4.3 69.0 1.0
CD1 A:PHI801 4.4 69.1 1.0
O A:GLU206 4.5 21.8 1.0
CD1 A:PHE357 4.7 30.4 1.0
CD2 A:PHE357 4.7 28.3 1.0
O A:PHE357 4.7 33.6 1.0
CD A:ARG358 4.8 42.2 1.0
CA A:PHE357 4.9 30.4 1.0
CG A:PHI801 4.9 65.2 1.0
C A:PHE357 5.0 31.8 1.0

Iodine binding site 2 out of 4 in 1orw

Go back to Iodine Binding Sites List in 1orw
Iodine binding site 2 out of 4 in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I803

b:88.7
occ:1.00
I B:PHI803 0.0 88.7 1.0
CZ B:PHI803 2.1 72.4 1.0
NH2 B:ARG358 2.6 47.1 1.0
NH1 B:ARG358 2.7 47.9 1.0
CZ B:ARG358 2.8 47.9 1.0
CE2 B:PHI803 3.0 69.1 1.0
CE1 B:PHI803 3.0 69.3 1.0
O B:HOH1039 3.8 43.0 1.0
CB B:PHE357 3.8 24.1 1.0
OG B:SER209 3.9 16.4 1.0
NE B:ARG358 4.0 48.3 1.0
CG B:PHE357 4.2 20.6 1.0
O B:GLU206 4.3 20.2 1.0
CD1 B:PHI803 4.3 63.4 1.0
CD2 B:PHI803 4.3 62.8 1.0
CD1 B:PHE357 4.6 22.6 1.0
CD2 B:PHE357 4.7 18.2 1.0
O B:GLU205 4.7 20.6 1.0
O B:HOH1092 4.8 38.4 1.0
C B:GLU206 4.9 17.8 1.0
CG B:PHI803 4.9 59.9 1.0
NH2 B:ARG669 4.9 31.8 1.0
CD B:ARG358 5.0 43.9 1.0

Iodine binding site 3 out of 4 in 1orw

Go back to Iodine Binding Sites List in 1orw
Iodine binding site 3 out of 4 in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I805

b:89.3
occ:1.00
I C:PHI805 0.0 89.3 1.0
CZ C:PHI805 2.1 72.3 1.0
NH2 C:ARG358 2.7 53.9 1.0
CE1 C:PHI805 3.0 69.5 1.0
CZ C:ARG358 3.0 53.5 1.0
CE2 C:PHI805 3.0 68.9 1.0
NH1 C:ARG358 3.0 56.5 1.0
CB C:PHE357 3.6 24.0 1.0
O C:HOH1005 3.7 33.1 1.0
OG C:SER209 3.8 22.4 1.0
NE C:ARG358 4.0 51.6 1.0
O C:PHE357 4.2 34.5 1.0
CG C:PHE357 4.2 22.7 1.0
O C:GLU206 4.2 22.3 1.0
CD1 C:PHI805 4.3 63.2 1.0
CD2 C:PHI805 4.3 62.8 1.0
CD1 C:PHE357 4.4 25.2 1.0
C C:PHE357 4.6 30.6 1.0
CA C:PHE357 4.7 27.4 1.0
C C:GLU206 4.7 19.6 1.0
O C:GLU205 4.8 22.5 1.0
CG C:ARG358 4.8 40.4 1.0
CG C:PHI805 4.9 59.9 1.0
CD C:ARG358 4.9 45.0 1.0
O C:HOH1007 4.9 34.0 1.0
CA C:GLU206 5.0 18.4 1.0

Iodine binding site 4 out of 4 in 1orw

Go back to Iodine Binding Sites List in 1orw
Iodine binding site 4 out of 4 in the Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with A Peptidomimetic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I807

b:99.3
occ:1.00
I D:PHI807 0.0 99.3 1.0
CZ D:PHI807 2.1 81.2 1.0
NH2 D:ARG358 2.5 61.4 1.0
CZ D:ARG358 2.8 60.0 1.0
CE1 D:PHI807 3.0 79.0 1.0
NE D:ARG358 3.0 58.3 1.0
CE2 D:PHI807 3.1 78.0 1.0
CB D:PHE357 3.5 32.6 1.0
NH1 D:ARG358 3.8 60.8 1.0
O D:GLU206 3.8 25.4 1.0
CD D:ARG358 4.1 54.0 1.0
CG D:PHE357 4.1 32.2 1.0
CD1 D:PHI807 4.3 72.3 1.0
OG D:SER209 4.3 16.7 1.0
CD2 D:PHI807 4.3 70.9 1.0
CD1 D:PHE357 4.5 32.6 1.0
O D:PHE357 4.5 39.9 1.0
C D:PHE357 4.6 38.5 1.0
CA D:PHE357 4.6 35.3 1.0
C D:GLU206 4.6 22.5 1.0
CG D:ARG358 4.6 49.9 1.0
NH2 D:ARG669 4.8 36.3 1.0
CG D:PHI807 4.9 67.7 1.0
O D:GLU205 4.9 21.5 1.0
CD2 D:PHE357 5.0 29.8 1.0

Reference:

M.Engel, T.Hoffmann, L.Wagner, M.Wermann, U.Heiser, R.Kiefersauer, R.Huber, W.Bode, H.U.Demuth, H.Brandstetter. The Crystal Structure of Dipeptidyl Peptidase IV (CD26) Reveals Its Functional Regulation and Enzymatic Mechanism Proc.Natl.Acad.Sci.Usa V. 100 5063 2003.
ISSN: ISSN 0027-8424
PubMed: 12690074
DOI: 10.1073/PNAS.0230620100
Page generated: Sun Dec 13 19:20:42 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy