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Iron in PDB 7lzo: Dhp B in Complex with 2,4-Dibromophenol Substrate

Protein crystallography data

The structure of Dhp B in Complex with 2,4-Dibromophenol Substrate, PDB code: 7lzo was solved by L.M.Carey, R.A.Ghiladi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.17 / 1.93
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.909, 66.248, 69.716, 90, 90, 90
R / Rfree (%) 16.2 / 20.6

Other elements in 7lzo:

The structure of Dhp B in Complex with 2,4-Dibromophenol Substrate also contains other interesting chemical elements:

Bromine (Br) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Dhp B in Complex with 2,4-Dibromophenol Substrate (pdb code 7lzo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dhp B in Complex with 2,4-Dibromophenol Substrate, PDB code: 7lzo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7lzo

Go back to Iron Binding Sites List in 7lzo
Iron binding site 1 out of 2 in the Dhp B in Complex with 2,4-Dibromophenol Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dhp B in Complex with 2,4-Dibromophenol Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:15.1
occ:1.00
FE A:HEM201 0.0 15.1 1.0
NA A:HEM201 2.0 13.6 1.0
NC A:HEM201 2.0 11.7 1.0
NB A:HEM201 2.0 14.3 1.0
ND A:HEM201 2.1 16.6 1.0
NE2 A:HIS89 2.3 15.8 1.0
O A:HOH338 2.4 12.7 0.7
C4A A:HEM201 3.1 14.8 1.0
C4B A:HEM201 3.1 13.2 1.0
C4C A:HEM201 3.1 18.1 1.0
C1A A:HEM201 3.1 15.5 1.0
C1C A:HEM201 3.1 14.1 1.0
C1B A:HEM201 3.1 16.6 1.0
C1D A:HEM201 3.1 18.7 1.0
C4D A:HEM201 3.1 22.5 1.0
CD2 A:HIS89 3.2 19.1 1.0
CE1 A:HIS89 3.3 18.6 1.0
CHC A:HEM201 3.4 11.7 1.0
CHB A:HEM201 3.4 17.6 1.0
CHD A:HEM201 3.4 18.4 1.0
CHA A:HEM201 3.5 10.7 1.0
C2A A:HEM201 4.3 13.3 1.0
C3A A:HEM201 4.3 12.7 1.0
C3B A:HEM201 4.3 14.8 1.0
C3C A:HEM201 4.3 16.3 1.0
C2B A:HEM201 4.3 9.7 1.0
C2C A:HEM201 4.3 17.2 1.0
C2D A:HEM201 4.3 13.3 1.0
C3D A:HEM201 4.3 19.4 1.0
ND1 A:HIS89 4.4 21.9 1.0
CG A:HIS89 4.4 18.5 1.0
CG2 A:VAL59 4.5 14.2 1.0
CG1 A:VAL59 4.8 12.9 1.0
CE A:MET86 4.8 16.7 1.0
O07 A:Y8I202 4.9 11.7 0.9

Iron binding site 2 out of 2 in 7lzo

Go back to Iron Binding Sites List in 7lzo
Iron binding site 2 out of 2 in the Dhp B in Complex with 2,4-Dibromophenol Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dhp B in Complex with 2,4-Dibromophenol Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:15.0
occ:1.00
FE B:HEM201 0.0 15.0 1.0
NC B:HEM201 2.0 13.6 1.0
ND B:HEM201 2.1 14.5 1.0
NA B:HEM201 2.1 18.1 1.0
NB B:HEM201 2.1 12.8 1.0
NE2 B:HIS89 2.3 17.7 1.0
O B:HOH309 2.5 14.0 0.3
C4C B:HEM201 3.0 17.6 1.0
C1D B:HEM201 3.0 19.1 1.0
C1C B:HEM201 3.1 12.2 1.0
C4A B:HEM201 3.1 11.6 1.0
C1A B:HEM201 3.1 18.8 1.0
C4D B:HEM201 3.1 24.6 1.0
C4B B:HEM201 3.1 14.5 1.0
C1B B:HEM201 3.1 12.7 1.0
CD2 B:HIS89 3.2 14.0 1.0
CE1 B:HIS89 3.3 15.2 1.0
CHD B:HEM201 3.4 16.8 1.0
CHC B:HEM201 3.4 10.3 1.0
CHA B:HEM201 3.5 16.2 1.0
CHB B:HEM201 3.5 10.4 1.0
C3C B:HEM201 4.3 18.3 1.0
C2C B:HEM201 4.3 18.9 1.0
C2D B:HEM201 4.3 12.9 1.0
C3A B:HEM201 4.3 13.2 1.0
C2A B:HEM201 4.3 21.5 1.0
C3D B:HEM201 4.3 20.9 1.0
C2B B:HEM201 4.3 13.9 1.0
C3B B:HEM201 4.3 13.6 1.0
CG B:HIS89 4.4 11.6 1.0
CG2 B:VAL59 4.4 8.5 1.0
ND1 B:HIS89 4.4 14.2 1.0
CG1 B:VAL59 4.7 12.4 1.0
O07 B:Y8I202 4.9 8.6 0.8

Reference:

L.M.Carey, R.A.Ghiladi. Mechanistic and Structural Studies of 2,4-Dihalophenol: Bridging the Functional Gap Between Reactivity and Inhibition in Dehaloperoxidase To Be Published.
Page generated: Thu Aug 8 08:04:57 2024

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