Atomistry » Fluorine » PDB 7eb2-7f8h » 7erd
Atomistry »
  Fluorine »
    PDB 7eb2-7f8h »
      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: Tue Jul 15 19:20:09 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy