Atomistry » Fluorine » PDB 7e5i-7f80 » 7erd
Atomistry »
  Fluorine »
    PDB 7e5i-7f80 »
      7erd »

Fluorine in PDB 7erd: Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)

Enzymatic activity of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)

All present enzymatic activity of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg):
1.3.1.24; 1.5.1.30;

Protein crystallography data

The structure of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg), PDB code: 7erd was solved by C.Griesinger, D.Lee, K.S.Ryu, M.Kim, J.H.Ha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.59 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.821, 116.996, 41.615, 90, 90, 90
R / Rfree (%) 18 / 22.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) (pdb code 7erd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg), PDB code: 7erd:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 1 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:41.0
occ:1.00
 F01 A:JBO402 0.0 41.0 1.0
C02 A:JBO402 1.4 41.1 1.0
F21 A:JBO402 2.2 42.2 1.0
F03 A:JBO402 2.2 41.9 1.0
C04 A:JBO402 2.4 38.6 1.0
C20 A:JBO402 2.6 36.3 1.0
O A:HOH508 3.4 32.3 1.0
O A:HOH535 3.6 19.9 1.0
O A:ARG78 3.6 33.5 1.0
C05 A:JBO402 3.7 38.0 1.0
CD2 A:LEU81 3.9 28.0 1.0
O A:HOH511 3.9 23.8 1.0
C19 A:JBO402 4.0 36.0 1.0
O2D A:NAP401 4.1 20.6 1.0
C06 A:JBO402 4.3 38.6 1.0
OG1 A:THR77 4.7 25.0 1.0
C07 A:JBO402 4.8 36.8 1.0
CG1 A:VAL128 4.8 18.7 1.0
C A:ARG78 4.8 34.0 1.0
C2D A:NAP401 4.9 21.8 1.0
CD2 A:LEU125 4.9 23.9 1.0
C18 A:JBO402 4.9 36.3 1.0
CA A:ASN79 4.9 39.6 1.0

Fluorine binding site 2 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 2 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:41.9
occ:1.00
 F03 A:JBO402 0.0 41.9 1.0
C02 A:JBO402 1.3 41.1 1.0
F21 A:JBO402 2.2 42.2 1.0
F01 A:JBO402 2.2 41.0 1.0
C04 A:JBO402 2.4 38.6 1.0
C06 A:JBO402 2.9 38.6 1.0
C05 A:JBO402 3.0 38.0 1.0
CD2 A:LEU81 3.4 28.0 1.0
C20 A:JBO402 3.4 36.3 1.0
CD2 A:LEU125 3.7 23.9 1.0
C07 A:JBO402 4.3 36.8 1.0
C19 A:JBO402 4.6 36.0 1.0
CG A:LEU81 4.7 28.8 1.0
C18 A:JBO402 4.9 36.3 1.0
O A:ARG78 5.0 33.5 1.0

Fluorine binding site 3 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 3 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:42.2
occ:1.00
 F21 A:JBO402 0.0 42.2 1.0
C02 A:JBO402 1.4 41.1 1.0
F03 A:JBO402 2.2 41.9 1.0
F01 A:JBO402 2.2 41.0 1.0
C04 A:JBO402 2.4 38.6 1.0
O A:HOH511 3.0 23.8 1.0
C05 A:JBO402 3.0 38.0 1.0
C06 A:JBO402 3.0 38.6 1.0
O7N A:NAP401 3.3 25.3 1.0
C20 A:JBO402 3.5 36.3 1.0
C7N A:NAP401 3.8 24.3 1.0
O A:HOH508 3.9 32.3 1.0
C2N A:NAP401 4.3 21.3 1.0
C07 A:JBO402 4.3 36.8 1.0
O A:ARG78 4.4 33.5 1.0
C3N A:NAP401 4.4 23.1 1.0
O A:HOH596 4.6 34.4 1.0
N7N A:NAP401 4.6 24.9 1.0
C19 A:JBO402 4.6 36.0 1.0
C18 A:JBO402 5.0 36.3 1.0

Fluorine binding site 4 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 4 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:45.8
occ:1.00
 F01 B:JBO402 0.0 45.8 1.0
C02 B:JBO402 1.4 45.8 1.0
F03 B:JBO402 2.2 46.4 1.0
F21 B:JBO402 2.2 46.6 1.0
C04 B:JBO402 2.5 43.6 1.0
O B:HOH519 2.8 31.1 1.0
C05 B:JBO402 3.1 42.2 1.0
C06 B:JBO402 3.2 41.1 1.0
C20 B:JBO402 3.5 43.0 1.0
N7N B:NAP401 3.5 25.0 1.0
CG B:ARG78 4.0 61.5 1.0
O B:HOH522 4.1 38.7 1.0
C07 B:JBO402 4.5 42.1 1.0
C7N B:NAP401 4.5 26.6 1.0
NH2 B:ARG78 4.5 67.7 1.0
CB B:ARG78 4.6 58.4 1.0
C2N B:NAP401 4.6 28.0 1.0
CA B:ARG78 4.7 55.7 1.0
C19 B:JBO402 4.7 42.3 1.0
O B:HOH533 4.8 29.6 1.0
C3N B:NAP401 4.8 27.0 1.0
O2D B:NAP401 4.9 30.4 1.0

Fluorine binding site 5 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 5 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:46.4
occ:1.00
 F03 B:JBO402 0.0 46.4 1.0
C02 B:JBO402 1.3 45.8 1.0
F21 B:JBO402 2.2 46.6 1.0
F01 B:JBO402 2.2 45.8 1.0
C04 B:JBO402 2.4 43.6 1.0
C20 B:JBO402 2.8 43.0 1.0
O B:HOH533 3.6 29.6 1.0
C05 B:JBO402 3.7 42.2 1.0
CA B:ARG78 3.8 55.7 1.0
O B:ARG78 3.9 57.0 1.0
CD2 B:LEU125 4.0 25.2 1.0
O B:HOH522 4.1 38.7 1.0
C19 B:JBO402 4.1 42.3 1.0
CG B:ARG78 4.3 61.5 1.0
C B:ARG78 4.3 57.5 1.0
O B:HOH519 4.3 31.1 1.0
C06 B:JBO402 4.3 41.1 1.0
O2D B:NAP401 4.4 30.4 1.0
CB B:ARG78 4.4 58.4 1.0
CG2 B:VAL128 4.6 26.3 1.0
N B:ARG78 4.7 52.4 1.0
O B:THR77 4.8 50.2 1.0
C07 B:JBO402 4.8 42.1 1.0
CG1 B:VAL128 4.9 26.7 1.0

Fluorine binding site 6 out of 6 in 7erd

Go back to Fluorine Binding Sites List in 7erd
Fluorine binding site 6 out of 6 in the Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Biliverdin IX-Beta Reductase B with Flunixin Meglumin (Fmg) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:46.6
occ:1.00
 F21 B:JBO402 0.0 46.6 1.0
C02 B:JBO402 1.4 45.8 1.0
F03 B:JBO402 2.2 46.4 1.0
F01 B:JBO402 2.2 45.8 1.0
C04 B:JBO402 2.4 43.6 1.0
C06 B:JBO402 3.0 41.1 1.0
C05 B:JBO402 3.1 42.2 1.0
CD2 B:LEU125 3.2 25.2 1.0
O A:HOH615 3.4 51.7 1.0
C20 B:JBO402 3.5 43.0 1.0
CG B:LEU125 4.4 25.5 1.0
CD1 B:LEU125 4.4 26.3 1.0
C07 B:JBO402 4.4 42.1 1.0
O B:ARG78 4.6 57.0 1.0
O A:HOH558 4.6 36.7 1.0
C19 B:JBO402 4.7 42.3 1.0
CG B:ARG78 4.8 61.5 1.0
O B:HOH577 4.8 46.3 1.0

Reference:

M.Kim, J.H.Ha, J.Choi, B.R.Kim, V.Gapsys, K.O.Lee, J.G.Jee, K.S.Chakrabarti, B.L.De Groot, C.Griesinger, K.S.Ryu, D.Lee. Repositioning Food and Drug Administration-Approved Drugs For Inhibiting Biliverdin IX Beta Reductase B As A Novel Thrombocytopenia Therapeutic Target. J.Med.Chem. V. 65 2548 2022.
ISSN: ISSN 0022-2623
PubMed: 34957824
DOI: 10.1021/ACS.JMEDCHEM.1C01664
Page generated: Fri Aug 2 06:45:24 2024

Last articles

Cl in 4A97
Cl in 4ABV
Cl in 4AA8
Cl in 4ABU
Cl in 4ABG
Cl in 4ABF
Cl in 4ABE
Cl in 4AAC
Cl in 4A95
Cl in 4A9V
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy