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Iron in PDB 8a1x: Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa

Enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa

All present enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa:
7.2.1.1;

Iron Binding Sites:

The binding sites of Iron atom in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa (pdb code 8a1x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa, PDB code: 8a1x:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8a1x

Go back to Iron Binding Sites List in 8a1x
Iron binding site 1 out of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:72.4
occ:1.00
FE1 E:FES1001 0.0 72.4 1.0
S1 E:FES1001 2.2 88.8 1.0
S2 E:FES1001 2.2 73.2 1.0
SG E:CYS26 2.3 71.6 1.0
SG D:CYS112 2.3 59.7 1.0
FE2 E:FES1001 2.7 88.2 1.0
HB2 E:CYS26 2.9 56.8 1.0
H D:CYS112 3.1 57.5 1.0
CB E:CYS26 3.2 57.7 1.0
H D:GLY27 3.5 51.4 1.0
HB2 E:CYS120 3.5 66.2 1.0
HB2 D:CYS112 3.5 57.1 1.0
CB D:CYS112 3.6 57.0 1.0
H E:CYS26 3.6 56.1 1.0
HB3 E:CYS26 3.7 56.4 1.0
N D:CYS112 3.8 51.5 1.0
SG D:CYS29 4.0 73.5 1.0
H D:CYS29 4.2 49.7 1.0
HA D:ASN111 4.2 59.4 1.0
CB E:CYS120 4.3 66.0 1.0
N D:GLY27 4.3 50.6 1.0
N E:CYS26 4.3 47.9 1.0
HB3 D:CYS112 4.3 57.4 1.0
CA D:CYS112 4.3 54.0 1.0
HB2 D:CYS29 4.3 49.3 1.0
HA D:LEU26 4.3 50.4 1.0
CA E:CYS26 4.4 51.2 1.0
HB3 E:CYS120 4.4 66.4 1.0
H D:VAL28 4.4 44.2 1.0
O D:THR110 4.5 67.6 1.0
HA2 D:GLY27 4.5 50.7 1.0
H E:CYS120 4.7 66.4 1.0
HA D:CYS112 4.8 57.4 1.0
CB D:CYS29 4.8 45.4 1.0
SG E:CYS120 4.8 76.3 1.0
H E:THR27 4.8 53.3 1.0
C D:ASN111 4.9 59.2 1.0
CA D:GLY27 4.9 48.8 1.0
HA E:CYS26 4.9 55.8 1.0
CA D:ASN111 5.0 58.6 1.0
N D:VAL28 5.0 41.2 1.0

Iron binding site 2 out of 4 in 8a1x

Go back to Iron Binding Sites List in 8a1x
Iron binding site 2 out of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:88.2
occ:1.00
FE2 E:FES1001 0.0 88.2 1.0
HB2 E:CYS120 2.0 66.2 1.0
S2 E:FES1001 2.2 73.2 1.0
S1 E:FES1001 2.2 88.8 1.0
CB E:CYS120 2.3 66.0 1.0
SG D:CYS29 2.3 73.5 1.0
HB3 E:CYS120 2.3 66.4 1.0
SG E:CYS120 2.3 76.3 1.0
HB2 D:CYS29 2.6 49.3 1.0
FE1 E:FES1001 2.7 72.4 1.0
CB D:CYS29 2.9 45.4 1.0
H E:GLY24 3.2 59.4 1.0
HB3 D:CYS29 3.3 48.6 1.0
CA E:CYS120 3.8 63.3 1.0
H D:CYS29 3.8 49.7 1.0
H E:CYS120 4.0 66.4 1.0
N E:GLY24 4.0 55.0 1.0
HA2 E:GLY24 4.1 58.1 1.0
HA E:CYS120 4.1 65.9 1.0
H E:MET25 4.2 56.9 1.0
SG E:CYS26 4.2 71.6 1.0
H E:CYS26 4.2 56.1 1.0
HA E:LEU23 4.3 67.8 1.0
CA D:CYS29 4.3 44.7 1.0
N E:CYS120 4.4 65.7 1.0
HA D:ASN111 4.4 59.4 1.0
N D:CYS29 4.4 51.1 1.0
CA E:GLY24 4.5 53.4 1.0
SG D:CYS112 4.7 59.7 1.0
H D:CYS112 4.7 57.5 1.0
C E:CYS120 4.7 65.0 1.0
N E:MET25 4.7 56.2 1.0
HA D:CYS29 4.8 49.7 1.0
HB2 E:CYS26 4.8 56.8 1.0
HD12 D:LEU107 4.9 61.3 1.0
O D:THR110 4.9 67.6 1.0
C E:GLY24 5.0 57.1 1.0

Iron binding site 3 out of 4 in 8a1x

Go back to Iron Binding Sites List in 8a1x
Iron binding site 3 out of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:103.0
occ:1.00
FE1 F:FES1502 0.0 103.0 1.0
S1 F:FES1502 2.2 95.1 1.0
S2 F:FES1502 2.2 94.1 1.0
SG F:CYS76 2.3 72.6 1.0
SG F:CYS70 2.3 74.3 1.0
H F:CYS76 2.6 68.4 1.0
FE2 F:FES1502 2.7 98.0 1.0
H F:GLY77 2.8 70.3 1.0
H F:CYS70 2.9 66.8 1.0
H F:SER75 3.2 64.9 1.0
HB3 F:CYS70 3.3 67.2 1.0
CB F:CYS70 3.4 69.7 1.0
N F:CYS76 3.4 69.3 1.0
H F:GLY71 3.5 61.8 1.0
N F:GLY77 3.6 71.1 1.0
CB F:CYS76 3.6 68.5 1.0
N F:CYS70 3.6 67.0 1.0
H F:ALA69 3.7 62.8 1.0
HB3 F:CYS76 3.8 68.7 1.0
N F:SER75 3.9 63.4 1.0
O F:GLY71 3.9 66.4 1.0
CA F:CYS70 3.9 66.6 1.0
HA2 F:GLY74 3.9 58.7 1.0
CA F:CYS76 3.9 67.0 1.0
N F:GLY71 3.9 60.3 1.0
H F:GLN78 3.9 68.3 1.0
H F:GLY74 4.0 58.0 1.0
C F:CYS70 4.2 65.6 1.0
HB2 F:CYS70 4.2 67.2 1.0
C F:CYS76 4.2 69.0 1.0
SG F:CYS111 4.2 55.0 1.0
HB2 F:CYS76 4.4 68.2 1.0
N F:ALA69 4.4 59.3 1.0
HA F:SER68 4.4 61.7 1.0
C F:SER75 4.4 67.5 1.0
CA F:GLY74 4.5 59.4 1.0
N F:GLY74 4.5 57.5 1.0
HA2 F:GLY77 4.5 70.3 1.0
SG F:CYS79 4.6 69.0 1.0
C F:GLY74 4.6 58.5 1.0
CA F:GLY77 4.6 70.4 1.0
H F:CYS79 4.7 63.9 1.0
N F:GLN78 4.7 66.9 1.0
CA F:SER75 4.7 67.4 1.0
C F:ALA69 4.7 64.4 1.0
H F:GLY73 4.7 55.5 1.0
HB1 F:ALA69 4.8 63.5 1.0
C F:GLY71 4.8 62.0 1.0
HB2 F:SER75 4.8 66.0 1.0
HB2 F:SER68 4.8 61.8 1.0
HA F:CYS70 4.8 66.3 1.0
HA F:CYS76 4.8 68.1 1.0
CA F:GLY71 4.8 61.0 1.0
HB3 F:CYS79 4.9 64.1 1.0

Iron binding site 4 out of 4 in 8a1x

Go back to Iron Binding Sites List in 8a1x
Iron binding site 4 out of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:98.0
occ:1.00
FE2 F:FES1502 0.0 98.0 1.0
S1 F:FES1502 2.2 95.1 1.0
S2 F:FES1502 2.2 94.1 1.0
SG F:CYS79 2.3 69.0 1.0
SG F:CYS111 2.3 55.0 1.0
FE1 F:FES1502 2.7 103.0 1.0
HB3 F:CYS111 3.0 58.8 1.0
CB F:CYS111 3.3 59.6 1.0
HA2 F:GLY74 3.4 58.7 1.0
HB3 F:CYS79 3.5 64.1 1.0
H F:CYS111 3.6 58.6 1.0
CB F:CYS79 3.6 64.8 1.0
HB3 F:LEU109 3.7 54.8 1.0
O F:GLY71 3.8 66.4 1.0
HD22 F:LEU109 3.9 55.4 1.0
H F:GLY74 3.9 58.0 1.0
HB2 F:CYS111 3.9 58.6 1.0
H F:CYS79 3.9 63.9 1.0
H F:GLY77 4.0 70.3 1.0
HD13 F:LEU109 4.2 55.5 1.0
HB2 F:CYS79 4.2 64.3 1.0
SG F:CYS70 4.3 74.3 1.0
CA F:GLY74 4.3 59.4 1.0
N F:CYS111 4.3 60.0 1.0
HD22 F:LEU56 4.3 60.0 1.0
CA F:CYS111 4.4 58.2 1.0
N F:GLY74 4.5 57.5 1.0
HA2 F:GLY77 4.5 70.3 1.0
SG F:CYS76 4.6 72.6 1.0
N F:CYS79 4.6 61.6 1.0
HB3 F:SER68 4.6 61.3 1.0
H F:SER75 4.6 64.9 1.0
CB F:LEU109 4.7 55.2 1.0
CA F:CYS79 4.7 64.3 1.0
CD2 F:LEU109 4.7 52.5 1.0
H F:GLN112 4.7 56.5 1.0
N F:GLY77 4.8 71.1 1.0
HA F:SER68 4.8 61.7 1.0
H F:GLN78 4.8 68.3 1.0
H F:GLY71 4.8 61.8 1.0
HA3 F:GLY74 4.9 58.8 1.0
HB2 F:SER68 4.9 61.8 1.0
H F:GLY73 4.9 55.5 1.0
H F:CYS76 4.9 68.4 1.0
C F:GLY71 4.9 62.0 1.0
HA F:LEU109 4.9 55.5 1.0
HD21 F:LEU109 5.0 55.2 1.0

Reference:

J.-L.Hau, J.-L.Hau, S.Kaltwasser, J.Vonck, G.Fritz, J.Steuber. N/A N/A.
Page generated: Fri Aug 9 16:04:46 2024

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