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Iron in PDB 8acy: X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution

Enzymatic activity of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution

All present enzymatic activity of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution:
7.2.1.1;

Protein crystallography data

The structure of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution, PDB code: 8acy was solved by G.Fritz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.73 / 3.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 95.27, 143.32, 104.37, 90, 110.98, 90
R / Rfree (%) 26.6 / 29

Other elements in 8acy:

The structure of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution (pdb code 8acy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution, PDB code: 8acy:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8acy

Go back to Iron Binding Sites List in 8acy
Iron binding site 1 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:146.5
occ:1.00
FE1 E:FES1001 0.0 146.5 1.0
S1 E:FES1001 2.2 147.4 1.0
S2 E:FES1001 2.2 143.2 1.0
SG D:CYS112 2.2 134.8 1.0
SG E:CYS26 2.3 139.0 1.0
HB2 E:CYS26 2.5 158.3 1.0
FE2 E:FES1001 2.7 144.5 1.0
CB E:CYS26 2.9 131.9 1.0
HB2 D:CYS112 3.2 178.3 1.0
H D:GLY27 3.2 172.1 1.0
CB D:CYS112 3.4 148.6 1.0
H D:CYS112 3.4 180.3 1.0
HB3 E:CYS26 3.5 158.3 1.0
H E:CYS26 3.5 153.3 1.0
SG D:CYS29 3.9 127.9 1.0
N D:GLY27 4.0 143.4 1.0
N D:CYS112 4.0 150.2 1.0
HB3 D:CYS112 4.0 178.3 1.0
H D:CYS29 4.1 174.9 1.0
H D:VAL28 4.1 162.7 1.0
CA E:CYS26 4.1 131.8 1.0
N E:CYS26 4.1 127.8 1.0
HA2 D:GLY27 4.2 173.8 1.0
H E:CYS120 4.2 171.3 1.0
HA D:LEU26 4.3 171.4 1.0
O D:THR110 4.3 172.3 1.0
CA D:CYS112 4.3 144.9 1.0
O E:VAL118 4.3 157.9 1.0
HA E:ASN119 4.4 183.7 1.0
CA D:GLY27 4.6 144.8 1.0
HA D:CYS112 4.6 173.9 1.0
N D:VAL28 4.6 135.6 1.0
HA E:CYS26 4.7 158.2 1.0
HB2 D:CYS29 4.7 156.5 1.0
H E:THR27 4.7 149.6 1.0
HA D:ASN111 4.7 185.7 1.0
HA2 E:GLY24 4.8 163.3 1.0
HD23 D:LEU26 4.8 171.3 1.0
SG E:CYS120 4.8 169.4 1.0
N D:CYS29 4.9 145.8 1.0
HB D:VAL28 5.0 151.3 1.0
C D:GLY27 5.0 139.2 1.0
CB D:CYS29 5.0 130.4 1.0
N E:CYS120 5.0 142.8 1.0

Iron binding site 2 out of 4 in 8acy

Go back to Iron Binding Sites List in 8acy
Iron binding site 2 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:144.5
occ:1.00
FE2 E:FES1001 0.0 144.5 1.0
S2 E:FES1001 2.2 143.2 1.0
S1 E:FES1001 2.2 147.4 1.0
SG D:CYS29 2.2 127.9 1.0
SG E:CYS120 2.3 169.4 1.0
HB2 E:CYS120 2.6 173.2 1.0
HB2 D:CYS29 2.6 156.5 1.0
H E:CYS120 2.7 171.3 1.0
FE1 E:FES1001 2.7 146.5 1.0
CB E:CYS120 2.9 144.3 1.0
CB D:CYS29 3.0 130.4 1.0
N E:CYS120 3.4 142.8 1.0
HB3 D:CYS29 3.5 156.5 1.0
H E:GLY24 3.5 170.1 1.0
H D:CYS29 3.6 174.9 1.0
HB3 E:CYS120 3.7 173.2 1.0
CA E:CYS120 3.7 139.4 1.0
HA2 E:GLY24 4.0 163.3 1.0
HA E:CYS120 4.1 167.3 1.0
H E:CYS26 4.2 153.3 1.0
CA D:CYS29 4.2 136.2 1.0
N D:CYS29 4.2 145.8 1.0
HA E:ASN119 4.2 183.7 1.0
H E:MET25 4.3 154.8 1.0
SG E:CYS26 4.3 139.0 1.0
N E:GLY24 4.3 141.8 1.0
O D:THR110 4.3 172.3 1.0
HB D:THR110 4.3 183.9 1.0
SG D:CYS112 4.4 134.8 1.0
C E:ASN119 4.5 142.9 1.0
CA E:GLY24 4.6 136.1 1.0
HB2 E:CYS26 4.6 158.3 1.0
H D:CYS112 4.7 180.3 1.0
O E:VAL118 4.7 157.9 1.0
N E:MET25 4.8 129.0 1.0
HA D:CYS29 4.8 163.4 1.0
OD1 E:ASN119 4.8 162.5 1.0
H D:SER30 4.8 166.5 1.0
HA D:ASN111 4.8 185.7 1.0
CA E:ASN119 4.9 153.1 1.0
HA E:LEU23 4.9 148.8 1.0
H E:ALA121 5.0 157.7 1.0

Iron binding site 3 out of 4 in 8acy

Go back to Iron Binding Sites List in 8acy
Iron binding site 3 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:274.9
occ:1.00
FE1 F:FES1502 0.0 274.9 1.0
S1 F:FES1502 2.2 275.4 1.0
S2 F:FES1502 2.2 261.0 1.0
SG F:CYS70 2.3 271.1 1.0
SG F:CYS76 2.3 242.2 1.0
FE2 F:FES1502 2.7 274.2 1.0
H F:CYS76 2.7 325.5 1.0
H F:GLY77 2.9 322.1 1.0
H F:CYS70 3.1 288.0 1.0
H F:SER75 3.2 317.0 1.0
H F:GLY71 3.2 277.8 1.0
N F:CYS76 3.4 271.2 1.0
CB F:CYS70 3.5 254.3 1.0
HB3 F:CYS70 3.6 305.2 1.0
CB F:CYS76 3.6 250.0 1.0
N F:GLY77 3.7 268.4 1.0
N F:CYS70 3.7 240.0 1.0
HB3 F:CYS76 3.7 300.0 1.0
N F:GLY71 3.8 231.5 1.0
H F:ALA69 3.8 285.0 1.0
N F:SER75 3.9 264.2 1.0
O F:GLY71 3.9 247.7 1.0
HA2 F:GLY74 3.9 306.0 1.0
CA F:CYS76 3.9 264.2 1.0
H F:GLY74 4.0 296.7 1.0
CA F:CYS70 4.0 243.8 1.0
H F:GLN78 4.0 306.1 1.0
C F:CYS70 4.3 237.2 1.0
HB2 F:CYS70 4.3 305.2 1.0
C F:CYS76 4.3 265.4 1.0
HB2 F:CYS76 4.4 300.0 1.0
SG F:CYS111 4.4 227.6 1.0
C F:SER75 4.4 271.8 1.0
N F:GLY74 4.5 247.3 1.0
SG F:CYS79 4.5 221.9 1.0
CA F:GLY74 4.5 255.0 1.0
H F:CYS79 4.5 293.5 1.0
HB3 F:CYS79 4.5 288.1 1.0
HA2 F:GLY77 4.5 310.2 1.0
N F:ALA69 4.6 237.5 1.0
C F:GLY74 4.6 266.9 1.0
HA F:SER68 4.6 284.2 1.0
CA F:GLY77 4.6 258.5 1.0
HB2 F:SER68 4.7 281.0 1.0
CA F:SER75 4.7 268.2 1.0
N F:GLN78 4.7 255.1 1.0
H F:GLY73 4.7 290.9 1.0
C F:GLY71 4.7 236.4 1.0
CA F:GLY71 4.7 227.8 1.0
C F:ALA69 4.8 231.4 1.0
HB3 F:SER75 4.8 332.7 1.0
HA F:CYS76 4.9 317.1 1.0
HB3 F:ALA69 4.9 270.5 1.0
HA F:CYS70 4.9 292.5 1.0
HA2 F:GLY71 5.0 273.4 1.0
HD13 F:LEU109 5.0 286.5 1.0

Iron binding site 4 out of 4 in 8acy

Go back to Iron Binding Sites List in 8acy
Iron binding site 4 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:274.2
occ:1.00
FE2 F:FES1502 0.0 274.2 1.0
S2 F:FES1502 2.2 261.0 1.0
S1 F:FES1502 2.2 275.4 1.0
SG F:CYS111 2.3 227.6 1.0
SG F:CYS79 2.3 221.9 1.0
FE1 F:FES1502 2.7 274.9 1.0
HB3 F:CYS111 3.3 278.5 1.0
HB3 F:CYS79 3.4 288.1 1.0
HB3 F:LEU109 3.5 278.8 1.0
HA2 F:GLY74 3.5 306.0 1.0
CB F:CYS111 3.5 232.1 1.0
CB F:CYS79 3.6 240.1 1.0
H F:CYS111 3.6 272.2 1.0
O F:GLY71 3.7 247.7 1.0
HD13 F:LEU109 3.9 286.5 1.0
H F:GLY74 3.9 296.7 1.0
H F:CYS79 4.0 293.5 1.0
HD22 F:LEU109 4.0 273.1 1.0
H F:GLY77 4.1 322.1 1.0
HD22 F:LEU56 4.1 261.9 1.0
HB2 F:CYS79 4.1 288.1 1.0
HB2 F:CYS111 4.1 278.5 1.0
SG F:CYS70 4.3 271.1 1.0
CA F:GLY74 4.4 255.0 1.0
N F:CYS111 4.4 226.9 1.0
CB F:LEU109 4.4 232.3 1.0
H F:GLN112 4.5 273.1 1.0
SG F:CYS76 4.5 242.2 1.0
N F:GLY74 4.6 247.3 1.0
CA F:CYS111 4.6 230.6 1.0
H F:GLY71 4.6 277.8 1.0
HA2 F:GLY77 4.6 310.2 1.0
N F:CYS79 4.6 244.6 1.0
CA F:CYS79 4.7 240.8 1.0
H F:SER75 4.7 317.0 1.0
HB3 F:SER68 4.7 281.0 1.0
CD1 F:LEU109 4.8 238.7 1.0
C F:GLY71 4.8 236.4 1.0
N F:GLY77 4.9 268.4 1.0
HB2 F:LEU109 4.9 278.8 1.0
HD13 F:LEU56 4.9 265.4 1.0
CD2 F:LEU109 4.9 227.6 1.0
HB2 F:SER68 4.9 281.0 1.0
H F:ALA110 4.9 263.5 1.0
CG F:LEU109 4.9 229.0 1.0
H F:GLY73 5.0 290.9 1.0
HA F:LEU109 5.0 271.8 1.0
HA3 F:GLY74 5.0 306.0 1.0

Reference:

G.Fritz, G.Fritz. N/A N/A.
ISSN: ESSN 1545-9985
Page generated: Fri Aug 9 17:25:23 2024

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