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Iron in PDB 7m8r: Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans

Protein crystallography data

The structure of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans, PDB code: 7m8r was solved by J.C.Johns, R.Banerjee, K.Shi, M.M.Semonis, H.Aihara, W.C.K.Pomerantz, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.10 / 2.22
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 102.388, 105.466, 298.184, 90, 90, 90
R / Rfree (%) 15.7 / 20.2

Other elements in 7m8r:

The structure of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 10 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans (pdb code 7m8r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans, PDB code: 7m8r:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7m8r

Go back to Iron Binding Sites List in 7m8r
Iron binding site 1 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:34.9
occ:1.00
 OE1 A:GLU114 1.9 34.9 1.0
OE1 A:GLU144 1.9 34.5 1.0
O A:HOH704 2.0 33.3 1.0
O A:HOH709 2.1 31.1 1.0
O1 A:BEZ607 2.1 39.8 1.0
ND1 A:HIS147 2.3 27.4 1.0
CD A:GLU114 3.0 35.2 1.0
CD A:GLU144 3.0 34.4 1.0
CE1 A:HIS147 3.0 25.1 1.0
C A:BEZ607 3.1 42.6 1.0
OE2 A:GLU114 3.3 34.3 1.0
FE A:FE602 3.4 38.7 1.0
CG A:HIS147 3.4 25.7 1.0
OE2 A:GLU144 3.4 36.4 1.0
O2 A:BEZ607 3.5 40.6 1.0
OE1 A:GLU243 3.8 53.6 1.0
CB A:HIS147 3.9 26.2 1.0
NE2 A:HIS147 4.2 27.6 1.0
CG A:GLU114 4.3 34.9 1.0
C1 A:BEZ607 4.4 43.3 1.0
CG A:GLU144 4.4 29.8 1.0
CD2 A:HIS147 4.4 26.6 1.0
CE1 A:HIS246 4.5 33.7 1.0
CA A:GLU144 4.5 27.6 1.0
CB A:GLU114 4.6 32.0 1.0
OE2 A:GLU243 4.6 47.6 1.0
CD A:GLU243 4.6 49.3 1.0
C2 A:BEZ607 4.6 40.7 1.0
ND1 A:HIS246 4.7 35.4 1.0
CB A:GLU144 4.7 26.4 1.0
CA A:GLU114 4.7 31.4 1.0
CG1 A:VAL239 4.8 25.1 1.0

Iron binding site 2 out of 4 in 7m8r

Go back to Iron Binding Sites List in 7m8r
Iron binding site 2 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:38.7
occ:1.00
 O A:HOH704 2.0 33.3 1.0
OE2 A:GLU144 2.1 36.4 1.0
OE2 A:GLU209 2.1 42.7 1.0
O2 A:BEZ607 2.2 40.6 1.0
ND1 A:HIS246 2.2 35.4 1.0
OE2 A:GLU243 2.2 47.6 1.0
CE1 A:HIS246 3.0 33.7 1.0
CD A:GLU144 3.1 34.4 1.0
C A:BEZ607 3.1 42.6 1.0
CD A:GLU209 3.1 42.2 1.0
CD A:GLU243 3.1 49.3 1.0
O1 A:BEZ607 3.3 39.8 1.0
CG A:HIS246 3.3 34.3 1.0
OE1 A:GLU144 3.3 34.5 1.0
OE1 A:GLU243 3.4 53.6 1.0
FE A:FE601 3.4 34.9 1.0
CG A:GLU209 3.6 38.4 1.0
CB A:HIS246 3.8 32.9 1.0
NE2 A:GLN140 4.1 39.8 1.0
OE1 A:GLU209 4.1 46.2 1.0
NE2 A:HIS246 4.2 34.7 1.0
CD2 A:HIS246 4.3 33.5 1.0
O A:HOH709 4.4 31.1 1.0
CG A:GLU144 4.4 29.8 1.0
C1 A:BEZ607 4.5 43.3 1.0
CG A:GLU243 4.5 44.5 1.0
CB A:GLU209 4.7 34.1 1.0
CD A:GLN140 4.8 37.8 1.0
CE1 A:HIS147 4.8 25.1 1.0
CG A:GLN140 4.9 30.1 1.0
ND1 A:HIS147 4.9 27.4 1.0
C6 A:BEZ607 4.9 42.2 1.0

Iron binding site 3 out of 4 in 7m8r

Go back to Iron Binding Sites List in 7m8r
Iron binding site 3 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe601

b:36.5
occ:1.00
 OE1 E:GLU114 2.0 37.3 1.0
OE1 E:GLU144 2.0 34.8 1.0
O2 E:BEZ606 2.0 39.6 1.0
O E:HOH767 2.0 33.9 1.0
O E:HOH711 2.1 35.2 1.0
ND1 E:HIS147 2.2 34.0 1.0
CE1 E:HIS147 2.9 31.6 1.0
CD E:GLU114 3.0 35.1 1.0
CD E:GLU144 3.0 34.6 1.0
C E:BEZ606 3.0 42.1 1.0
OE2 E:GLU114 3.3 39.6 1.0
CG E:HIS147 3.3 32.9 1.0
OE2 E:GLU144 3.4 36.6 1.0
FE E:FE602 3.4 38.8 1.0
O1 E:BEZ606 3.5 40.2 1.0
CB E:HIS147 3.8 26.7 1.0
OE1 E:GLU243 4.0 48.3 1.0
NE2 E:HIS147 4.1 33.3 1.0
C1 E:BEZ606 4.3 40.0 1.0
CG E:GLU114 4.3 32.2 1.0
CD2 E:HIS147 4.3 31.6 1.0
CG E:GLU144 4.4 34.0 1.0
C6 E:BEZ606 4.5 39.7 1.0
OE2 E:GLU243 4.5 44.2 1.0
CE1 E:HIS246 4.5 31.5 1.0
CA E:GLU144 4.6 28.8 1.0
CB E:GLU114 4.6 34.0 1.0
CD E:GLU243 4.7 46.1 1.0
ND1 E:HIS246 4.7 33.0 1.0
CB E:GLU144 4.7 32.3 1.0
CA E:GLU114 4.8 34.5 1.0
CG1 E:VAL239 5.0 26.0 1.0
CB E:ALA117 5.0 29.5 1.0

Iron binding site 4 out of 4 in 7m8r

Go back to Iron Binding Sites List in 7m8r
Iron binding site 4 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe602

b:38.8
occ:1.00
 O E:HOH767 2.0 33.9 1.0
O1 E:BEZ606 2.0 40.2 1.0
OE2 E:GLU209 2.1 41.4 1.0
OE2 E:GLU243 2.1 44.2 1.0
ND1 E:HIS246 2.2 33.0 1.0
OE2 E:GLU144 2.2 36.6 1.0
CE1 E:HIS246 3.0 31.5 1.0
C E:BEZ606 3.0 42.1 1.0
CD E:GLU209 3.1 39.2 1.0
CD E:GLU243 3.1 46.1 1.0
CD E:GLU144 3.2 34.6 1.0
O2 E:BEZ606 3.2 39.6 1.0
CG E:HIS246 3.3 32.3 1.0
FE E:FE601 3.4 36.5 1.0
OE1 E:GLU144 3.5 34.8 1.0
OE1 E:GLU243 3.5 48.3 1.0
CG E:GLU209 3.6 37.0 1.0
CB E:HIS246 3.8 32.8 1.0
OE1 E:GLU209 4.2 42.4 1.0
NE2 E:HIS246 4.2 32.6 1.0
C1 E:BEZ606 4.3 40.0 1.0
CD2 E:HIS246 4.4 31.6 1.0
NE2 E:GLN140 4.4 44.2 1.0
O E:HOH711 4.4 35.2 1.0
CG E:GLU243 4.5 43.7 1.0
CG E:GLU144 4.5 34.0 1.0
CB E:GLU209 4.6 38.2 1.0
CE1 E:HIS147 4.7 31.6 1.0
C2 E:BEZ606 4.8 41.4 1.0
ND1 E:HIS147 4.9 34.0 1.0
CG E:GLN140 4.9 37.8 1.0
CD E:GLN140 5.0 41.1 1.0

Reference:

J.C.Jones, R.Banerjee, K.Shi, M.M.Semonis, H.Aihara, W.C.K.Pomerantz, J.D.Lipscomb. Soluble Methane Monooxygenase Component Interactions Monitored By 19 F uc(Nmr). Biochemistry V. 60 1995 2021.
ISSN: ISSN 0006-2960
PubMed: 34100595
DOI: 10.1021/ACS.BIOCHEM.1C00293
Page generated: Thu Aug 8 08:23:27 2024

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