Atomistry » Iron » PDB 7txe-7us8 » 7uf7
Atomistry »
  Iron »
    PDB 7txe-7us8 »
      7uf7 »

Iron in PDB 7uf7: Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503

Protein crystallography data

The structure of Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503, PDB code: 7uf7 was solved by A.K.Donkor, F.N.Musayev, M.K.Safo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.22 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.614, 83.12, 105.122, 90, 90, 90
R / Rfree (%) 15.7 / 22.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503 (pdb code 7uf7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503, PDB code: 7uf7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7uf7

Go back to Iron Binding Sites List in 7uf7
Iron binding site 1 out of 4 in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:15.2
occ:1.00
FE A:HEM201 0.0 15.2 1.0
C A:CMO202 1.9 10.7 1.0
NE2 A:HIS87 2.0 12.7 1.0
NA A:HEM201 2.1 11.7 1.0
ND A:HEM201 2.1 12.2 1.0
NC A:HEM201 2.1 14.2 1.0
NB A:HEM201 2.1 10.8 1.0
CE1 A:HIS87 3.0 14.1 1.0
C1A A:HEM201 3.1 12.8 1.0
C4D A:HEM201 3.1 16.3 1.0
O A:CMO202 3.1 21.2 1.0
C1B A:HEM201 3.1 12.1 1.0
C1C A:HEM201 3.1 11.6 1.0
C4C A:HEM201 3.1 13.4 1.0
C1D A:HEM201 3.1 10.7 1.0
CD2 A:HIS87 3.1 9.7 1.0
C4A A:HEM201 3.1 13.2 1.0
C4B A:HEM201 3.1 11.9 1.0
CHA A:HEM201 3.4 15.0 1.0
CHB A:HEM201 3.5 11.8 1.0
CHC A:HEM201 3.5 13.9 1.0
CHD A:HEM201 3.5 12.8 1.0
ND1 A:HIS87 4.1 10.9 1.0
CG A:HIS87 4.2 12.4 1.0
C3D A:HEM201 4.3 17.2 1.0
C2A A:HEM201 4.3 19.4 1.0
C2D A:HEM201 4.3 17.1 1.0
C2C A:HEM201 4.3 12.6 1.0
C3C A:HEM201 4.3 11.4 1.0
C2B A:HEM201 4.3 10.9 1.0
C3A A:HEM201 4.3 16.3 1.0
C3B A:HEM201 4.3 10.1 1.0
NE2 A:HIS58 4.7 17.9 1.0

Iron binding site 2 out of 4 in 7uf7

Go back to Iron Binding Sites List in 7uf7
Iron binding site 2 out of 4 in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:17.6
occ:1.00
FE B:HEM201 0.0 17.6 1.0
C B:CMO202 1.9 15.7 1.0
NE2 B:HIS92 2.0 16.5 1.0
ND B:HEM201 2.1 22.8 1.0
NA B:HEM201 2.1 20.6 1.0
NC B:HEM201 2.1 18.9 1.0
NB B:HEM201 2.1 14.5 1.0
CE1 B:HIS92 3.0 17.6 1.0
C4D B:HEM201 3.0 20.3 1.0
O B:CMO202 3.1 20.8 1.0
CD2 B:HIS92 3.1 16.5 1.0
C1A B:HEM201 3.1 22.1 1.0
C1C B:HEM201 3.1 20.6 1.0
C4C B:HEM201 3.1 18.9 1.0
C1D B:HEM201 3.1 19.4 1.0
C1B B:HEM201 3.1 16.5 1.0
C4B B:HEM201 3.1 17.3 1.0
C4A B:HEM201 3.1 21.1 1.0
CHA B:HEM201 3.4 18.2 1.0
CHC B:HEM201 3.5 19.9 1.0
CHD B:HEM201 3.5 17.3 1.0
CHB B:HEM201 3.5 15.3 1.0
ND1 B:HIS92 4.1 16.4 1.0
CG B:HIS92 4.2 16.0 1.0
C3D B:HEM201 4.3 22.6 1.0
C2C B:HEM201 4.3 20.1 1.0
C2D B:HEM201 4.3 23.8 1.0
C3C B:HEM201 4.3 16.9 1.0
C2A B:HEM201 4.3 21.1 1.0
C3A B:HEM201 4.3 19.0 1.0
C2B B:HEM201 4.3 15.1 1.0
C3B B:HEM201 4.4 17.0 1.0
NE2 B:HIS63 4.5 17.9 1.0

Iron binding site 3 out of 4 in 7uf7

Go back to Iron Binding Sites List in 7uf7
Iron binding site 3 out of 4 in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:12.6
occ:1.00
FE C:HEM201 0.0 12.6 1.0
C C:CMO202 1.9 11.1 1.0
ND C:HEM201 2.0 12.6 1.0
NE2 C:HIS87 2.0 13.2 1.0
NA C:HEM201 2.1 12.8 1.0
NC C:HEM201 2.1 12.0 1.0
NB C:HEM201 2.1 10.3 1.0
CD2 C:HIS87 3.0 10.9 1.0
C4D C:HEM201 3.0 13.9 1.0
C1A C:HEM201 3.0 14.2 1.0
O C:CMO202 3.1 16.4 1.0
C4C C:HEM201 3.1 15.5 1.0
C1D C:HEM201 3.1 14.2 1.0
CE1 C:HIS87 3.1 12.1 1.0
C1C C:HEM201 3.1 12.2 1.0
C4A C:HEM201 3.1 12.9 1.0
C1B C:HEM201 3.1 12.5 1.0
C4B C:HEM201 3.1 13.6 1.0
CHA C:HEM201 3.4 13.2 1.0
CHD C:HEM201 3.5 12.8 1.0
CHB C:HEM201 3.5 8.3 1.0
CHC C:HEM201 3.6 12.2 1.0
CG C:HIS87 4.2 12.3 1.0
ND1 C:HIS87 4.2 11.7 1.0
C3D C:HEM201 4.2 11.1 1.0
C2A C:HEM201 4.3 12.9 1.0
C2D C:HEM201 4.3 11.3 1.0
C3C C:HEM201 4.3 12.1 1.0
C2C C:HEM201 4.3 12.4 1.0
C3A C:HEM201 4.3 11.5 1.0
C2B C:HEM201 4.3 11.0 1.0
C3B C:HEM201 4.3 8.8 1.0
NE2 C:HIS58 4.7 21.1 1.0

Iron binding site 4 out of 4 in 7uf7

Go back to Iron Binding Sites List in 7uf7
Iron binding site 4 out of 4 in the Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Liganded Hb with the 5-Hmf Analog, MMA503 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:14.1
occ:1.00
FE D:HEM201 0.0 14.1 1.0
C D:CMO202 1.9 11.5 1.0
ND D:HEM201 2.0 10.9 1.0
NE2 D:HIS92 2.0 16.1 1.0
NA D:HEM201 2.1 12.1 1.0
NC D:HEM201 2.1 13.9 1.0
NB D:HEM201 2.1 11.2 1.0
CE1 D:HIS92 2.9 14.8 1.0
C4D D:HEM201 3.0 12.9 1.0
O D:CMO202 3.0 21.6 1.0
C1A D:HEM201 3.1 14.5 1.0
C1D D:HEM201 3.1 13.8 1.0
C4C D:HEM201 3.1 14.0 1.0
C4A D:HEM201 3.1 11.2 1.0
C1C D:HEM201 3.1 14.8 1.0
CD2 D:HIS92 3.1 13.6 1.0
C1B D:HEM201 3.1 11.6 1.0
C4B D:HEM201 3.2 13.9 1.0
CHA D:HEM201 3.4 14.7 1.0
CHD D:HEM201 3.5 12.8 1.0
CHB D:HEM201 3.5 12.8 1.0
CHC D:HEM201 3.5 11.6 1.0
ND1 D:HIS92 4.1 14.5 1.0
CG D:HIS92 4.2 16.6 1.0
C3D D:HEM201 4.2 14.8 1.0
C2D D:HEM201 4.3 15.6 1.0
C3C D:HEM201 4.3 11.6 1.0
C2A D:HEM201 4.3 12.0 1.0
C2C D:HEM201 4.3 14.3 1.0
C3A D:HEM201 4.3 12.3 1.0
C2B D:HEM201 4.3 11.6 1.0
C3B D:HEM201 4.4 12.9 1.0
NE2 D:HIS63 4.5 14.4 1.0

Reference:

M.E.El-Araby, A.M.Omar, M.S.Ghatge, F.N.Musayev, A.K.Donkor, S.D.Paredes, O.Abdulmalik, M.K.Safo. Improving the Antisickling Activity of Furaldehyde To Be Published.
Page generated: Thu Aug 7 06:20:43 2025

Last articles

Sr in 2QJY
Sr in 2X53
Sr in 2SPT
Sr in 2XRM
Sr in 2WOH
Sr in 2RIO
Sr in 2PN4
Sr in 2QJK
Sr in 2QJP
Sr in 2HMP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy