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Fluorine in PDB 3ghr: Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage

Enzymatic activity of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage

All present enzymatic activity of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage:
1.1.1.21;

Protein crystallography data

The structure of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage, PDB code: 3ghr was solved by T.Petrova, S.Ginell, I.Hazemann, A.Mitschler, A.Podjarny, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.361, 66.797, 47.353, 90.00, 92.22, 90.00
R / Rfree (%) 8.6 / 10.2

Other elements in 3ghr:

The structure of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage also contains other interesting chemical elements:

Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage (pdb code 3ghr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage, PDB code: 3ghr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3ghr

Go back to Fluorine Binding Sites List in 3ghr
Fluorine binding site 1 out of 2 in the Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F320

b:8.3
occ:1.00
 F9 A:LDT320 0.0 8.3 1.0
C5 A:LDT320 1.3 6.6 1.0
C2 A:LDT320 2.3 6.5 1.0
C6 A:LDT320 2.3 6.9 1.0
O A:VAL47 3.1 5.0 1.0
O A:HOH2029 3.4 10.3 1.0
O A:HOH2028 3.6 7.3 1.0
C3 A:LDT320 3.6 7.0 1.0
C A:VAL47 3.6 4.2 1.0
CD1 A:TYR48 3.6 4.4 1.0
C4 A:LDT320 3.6 5.9 1.0
CG1 A:VAL47 3.6 5.0 1.0
O A:HOH4002 3.6 10.6 0.5
O A:HOH4010 3.7 10.1 0.7
NE1 A:TRP20 3.9 5.9 1.0
CG2 A:VAL47 3.9 5.3 1.0
CA A:TYR48 3.9 4.6 1.0
CD1 A:TRP20 4.0 5.5 1.0
N A:TYR48 4.0 4.2 1.0
C7 A:LDT320 4.1 6.3 1.0
CB A:VAL47 4.2 4.5 1.0
CE1 A:TYR48 4.2 4.7 1.0
CA A:VAL47 4.5 4.4 1.0
CG A:TYR48 4.6 4.4 1.0
O A:HOH2189 4.7 9.6 1.0
O15 A:LDT320 4.8 6.2 1.0
CB A:TYR48 4.8 4.5 1.0
O A:HOH2017 4.8 8.3 1.0
C A:TYR48 4.9 4.5 1.0
CE2 A:TRP20 4.9 6.1 1.0

Fluorine binding site 2 out of 2 in 3ghr

Go back to Fluorine Binding Sites List in 3ghr
Fluorine binding site 2 out of 2 in the Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Aldose Reductase in Complex with Nadp+ and the Inhibitor IDD594. Investigation of Global Effects of Radiation Damage on Protein Structure. First Stage of Radiation Damage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F320

b:8.8
occ:1.00
 F14 A:LDT320 0.0 8.8 1.0
C27 A:LDT320 1.3 7.1 1.0
C24 A:LDT320 2.3 7.0 1.0
C28 A:LDT320 2.4 7.3 1.0
C13 A:LDT320 2.8 7.8 1.0
C A:ALA299 3.0 8.6 1.0
CA A:ALA299 3.1 8.4 1.0
CH2 A:TRP111 3.2 6.8 1.0
N A:ALA299 3.3 8.0 1.0
N A:LEU300 3.3 8.1 1.0
O A:ALA299 3.5 10.6 1.0
CB A:LEU300 3.6 8.2 1.0
C25 A:LDT320 3.6 7.0 1.0
C26 A:LDT320 3.6 7.0 1.0
CZ2 A:TRP111 3.7 6.7 1.0
C A:CYS298 3.7 5.8 0.5
C A:CYS298 3.8 8.1 0.5
CZ3 A:TRP111 3.8 6.6 1.0
O A:CYS298 3.8 6.2 0.5
CA A:LEU300 4.0 7.8 1.0
C29 A:LDT320 4.1 6.8 1.0
O A:CYS298 4.1 9.1 0.5
N17 A:LDT320 4.2 7.2 1.0
CB A:CYS298 4.4 8.3 0.5
CA A:CYS298 4.4 7.3 0.5
CE2 A:TRP111 4.4 5.8 1.0
OH A:TYR309 4.5 10.0 1.0
CB A:ALA299 4.5 11.1 1.0
SG A:CYS298 4.5 6.5 0.5
CE2 A:PHE311 4.5 6.8 0.3
CE3 A:TRP111 4.6 5.7 1.0
CE1 A:TYR309 4.8 8.9 1.0
CA A:CYS298 4.8 6.2 0.5
CE2 A:PHE311 4.8 7.3 0.5
CG A:LEU300 4.9 9.6 1.0
CD2 A:TRP111 4.9 5.1 1.0
CD2 A:LEU300 5.0 11.1 1.0

Reference:

T.Petrova, V.Y.Lunin, S.Ginell, I.Hazemann, K.Lazarski, A.Mitschler, A.Podjarny, A.Joachimiak. X-Ray-Radiation-Induced Cooperative Atomic Movements in Protein. J.Mol.Biol. V. 387 1092 2009.
ISSN: ISSN 0022-2836
PubMed: 19233199
DOI: 10.1016/J.JMB.2009.02.030
Page generated: Wed Jul 31 18:53:07 2024

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