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Iron in PDB 8acw: X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution

Enzymatic activity of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution

All present enzymatic activity of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution:
7.2.1.1;

Protein crystallography data

The structure of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution, PDB code: 8acw was solved by G.Fritz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.60 / 3.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.72, 142.94, 103.39, 90, 109.93, 90
R / Rfree (%) 27 / 30.6

Other elements in 8acw:

The structure of X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution also contains other interesting chemical elements:

Potassium (K) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 A Resolution (pdb code 8acw). 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 3.4 A Resolution, PDB code: 8acw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8acw

Go back to Iron Binding Sites List in 8acw
Iron binding site 1 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 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 3.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe202

b:123.4
occ:1.00
FE1 E:FES202 0.0 123.4 1.0
SG D:CYS112 2.2 150.8 1.0
S1 E:FES202 2.2 163.2 1.0
S2 E:FES202 2.2 173.1 1.0
SG E:CYS26 2.3 181.8 1.0
HB2 E:CYS26 2.5 129.9 1.0
FE2 E:FES202 2.7 376.1 1.0
CB E:CYS26 2.9 108.0 1.0
HB2 D:CYS112 3.1 194.3 1.0
H D:CYS112 3.2 228.0 1.0
CB D:CYS112 3.3 161.7 1.0
HB3 E:CYS26 3.5 129.9 1.0
H D:GLY27 3.5 187.7 1.0
H E:CYS26 3.5 178.4 1.0
N D:CYS112 3.9 189.7 1.0
H D:CYS29 4.0 324.0 1.0
H E:CYS120 4.0 314.7 1.0
HB3 D:CYS112 4.0 194.3 1.0
HA E:ASN119 4.1 243.4 1.0
HB2 D:CYS29 4.1 216.8 1.0
CA E:CYS26 4.1 106.1 1.0
SG D:CYS29 4.2 178.6 1.0
N E:CYS26 4.2 148.4 1.0
CA D:CYS112 4.2 171.3 1.0
H D:VAL28 4.2 117.0 1.0
N D:GLY27 4.2 156.2 1.0
HA2 D:GLY27 4.3 210.8 1.0
O D:THR110 4.3 212.6 1.0
HA D:LEU26 4.4 206.0 1.0
O E:VAL118 4.4 246.9 1.0
HA D:CYS112 4.5 205.9 1.0
HA D:ASN111 4.6 211.4 1.0
CB D:CYS29 4.7 180.4 1.0
H E:THR27 4.7 161.5 1.0
CA D:GLY27 4.7 175.4 1.0
HA E:CYS26 4.7 127.7 1.0
N D:VAL28 4.7 97.3 1.0
HA2 E:GLY24 4.8 193.9 1.0
N E:CYS120 4.8 262.0 1.0
SG E:CYS120 4.8 226.8 1.0
N D:CYS29 4.8 269.8 1.0
HB2 E:CYS120 4.9 282.9 1.0
HG23 E:THR27 4.9 183.8 1.0

Iron binding site 2 out of 4 in 8acw

Go back to Iron Binding Sites List in 8acw
Iron binding site 2 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 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 3.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe202

b:376.1
occ:1.00
FE2 E:FES202 0.0 376.1 1.0
HB2 D:CYS29 2.1 216.8 1.0
S2 E:FES202 2.2 173.1 1.0
S1 E:FES202 2.2 163.2 1.0
SG D:CYS29 2.3 178.6 1.0
SG E:CYS120 2.3 226.8 1.0
HB2 E:CYS120 2.4 282.9 1.0
H E:CYS120 2.6 314.7 1.0
CB D:CYS29 2.6 180.4 1.0
FE1 E:FES202 2.7 123.4 1.0
CB E:CYS120 2.8 235.4 1.0
HB3 D:CYS29 3.1 216.8 1.0
N E:CYS120 3.3 262.0 1.0
H E:GLY24 3.5 222.6 1.0
H D:CYS29 3.5 324.0 1.0
HB3 E:CYS120 3.6 282.9 1.0
CA E:CYS120 3.6 207.8 1.0
HA2 E:GLY24 3.9 193.9 1.0
CA D:CYS29 3.9 214.7 1.0
HA E:CYS120 4.1 249.6 1.0
N D:CYS29 4.1 269.8 1.0
SG E:CYS26 4.1 181.8 1.0
H E:CYS26 4.1 178.4 1.0
H E:MET25 4.2 183.4 1.0
N E:GLY24 4.2 185.2 1.0
HA E:ASN119 4.2 243.4 1.0
O D:THR110 4.4 212.6 1.0
CA E:GLY24 4.4 161.3 1.0
C E:ASN119 4.4 186.4 1.0
HA D:CYS29 4.5 257.9 1.0
HB D:THR110 4.5 238.1 1.0
SG D:CYS112 4.6 150.8 1.0
HB2 E:CYS26 4.6 129.9 1.0
N E:MET25 4.7 152.6 1.0
H D:CYS112 4.7 228.0 1.0
H D:SER30 4.7 189.8 1.0
HA D:ASN111 4.8 211.4 1.0
CA E:ASN119 4.9 202.6 1.0
HA E:LEU23 4.9 185.6 1.0
C E:GLY24 4.9 95.8 1.0
C D:CYS29 4.9 168.5 1.0
H E:ALA121 4.9 197.2 1.0
C E:CYS120 4.9 202.1 1.0
N E:CYS26 5.0 148.4 1.0
CB E:CYS26 5.0 108.0 1.0

Iron binding site 3 out of 4 in 8acw

Go back to Iron Binding Sites List in 8acw
Iron binding site 3 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 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 3.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:371.3
occ:1.00
FE1 F:FES1502 0.0 371.3 1.0
S1 F:FES1502 2.2 350.4 1.0
S2 F:FES1502 2.2 308.8 1.0
SG F:CYS70 2.3 368.9 1.0
SG F:CYS76 2.3 245.5 1.0
FE2 F:FES1502 2.7 329.6 1.0
H F:CYS76 2.7 403.1 1.0
H F:GLY77 2.8 436.8 1.0
H F:CYS70 3.1 365.7 1.0
H F:SER75 3.3 320.9 1.0
H F:GLY71 3.3 410.5 1.0
N F:CYS76 3.4 335.6 1.0
CB F:CYS70 3.5 327.9 1.0
CB F:CYS76 3.6 289.7 1.0
HB3 F:CYS70 3.6 393.8 1.0
N F:GLY77 3.6 363.7 1.0
HB3 F:CYS76 3.7 347.9 1.0
N F:CYS70 3.8 304.5 1.0
H F:ALA69 3.8 314.9 1.0
N F:GLY71 3.8 341.9 1.0
CA F:CYS76 3.9 329.8 1.0
O F:GLY71 3.9 256.8 1.0
N F:SER75 3.9 267.2 1.0
HA2 F:GLY74 3.9 325.1 1.0
H F:GLN78 4.0 381.1 1.0
H F:GLY74 4.0 275.2 1.0
CA F:CYS70 4.0 311.9 1.0
C F:CYS76 4.3 321.0 1.0
C F:CYS70 4.3 306.4 1.0
HB2 F:CYS70 4.3 393.8 1.0
HB2 F:CYS76 4.4 347.9 1.0
SG F:CYS111 4.4 256.6 1.0
C F:SER75 4.4 289.1 1.0
H F:CYS79 4.4 325.8 1.0
SG F:CYS79 4.5 256.9 1.0
HB3 F:CYS79 4.5 298.6 1.0
N F:GLY74 4.5 229.1 1.0
HA2 F:GLY77 4.5 423.6 1.0
CA F:GLY74 4.5 270.7 1.0
N F:ALA69 4.6 262.2 1.0
CA F:GLY77 4.6 352.8 1.0
HA F:SER68 4.6 296.0 1.0
C F:GLY74 4.6 299.9 1.0
N F:GLN78 4.6 317.3 1.0
HB2 F:SER68 4.7 276.4 1.0
CA F:SER75 4.7 271.4 1.0
H F:GLY73 4.7 311.5 1.0
C F:GLY71 4.7 241.7 1.0
CA F:GLY71 4.8 291.1 1.0
HA F:CYS76 4.8 396.1 1.0
C F:ALA69 4.9 268.5 1.0
HB3 F:SER75 4.9 341.7 1.0
HB3 F:ALA69 4.9 295.0 1.0
HA F:CYS70 5.0 374.5 1.0
HD13 F:LEU109 5.0 361.1 1.0

Iron binding site 4 out of 4 in 8acw

Go back to Iron Binding Sites List in 8acw
Iron binding site 4 out of 4 in the X-Ray Structure of Na+-Nqr From Vibrio Cholerae at 3.4 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 3.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1502

b:329.6
occ:1.00
FE2 F:FES1502 0.0 329.6 1.0
S2 F:FES1502 2.2 308.8 1.0
S1 F:FES1502 2.2 350.4 1.0
SG F:CYS79 2.3 256.9 1.0
SG F:CYS111 2.3 256.6 1.0
FE1 F:FES1502 2.7 371.3 1.0
HB3 F:CYS111 3.3 302.0 1.0
HB3 F:LEU109 3.4 353.4 1.0
HB3 F:CYS79 3.4 298.6 1.0
CB F:CYS111 3.5 251.4 1.0
HA2 F:GLY74 3.5 325.1 1.0
CB F:CYS79 3.5 248.6 1.0
H F:CYS111 3.6 349.6 1.0
O F:GLY71 3.8 256.8 1.0
HD22 F:LEU109 3.9 336.8 1.0
HD13 F:LEU109 3.9 361.1 1.0
H F:CYS79 3.9 325.8 1.0
HD22 F:LEU56 4.0 309.2 1.0
H F:GLY74 4.0 275.2 1.0
HB2 F:CYS79 4.1 298.6 1.0
HB2 F:CYS111 4.1 302.0 1.0
H F:GLY77 4.1 436.8 1.0
N F:CYS111 4.3 291.1 1.0
CB F:LEU109 4.3 294.2 1.0
SG F:CYS70 4.4 368.9 1.0
H F:GLN112 4.4 291.2 1.0
CA F:GLY74 4.4 270.7 1.0
SG F:CYS76 4.5 245.5 1.0
CA F:CYS111 4.5 266.3 1.0
N F:GLY74 4.6 229.1 1.0
N F:CYS79 4.6 271.3 1.0
HA2 F:GLY77 4.6 423.6 1.0
CA F:CYS79 4.6 266.2 1.0
H F:GLY71 4.7 410.5 1.0
H F:SER75 4.7 320.9 1.0
HB3 F:SER68 4.7 276.4 1.0
CD2 F:LEU109 4.8 280.4 1.0
HD13 F:LEU56 4.8 244.0 1.0
HB2 F:LEU109 4.8 353.4 1.0
CD1 F:LEU109 4.8 300.7 1.0
H F:ALA110 4.8 301.2 1.0
HA F:LEU109 4.8 346.9 1.0
N F:GLY77 4.9 363.7 1.0
CG F:LEU109 4.9 287.8 1.0
C F:GLY71 4.9 241.7 1.0
CD2 F:LEU56 4.9 257.4 1.0
N F:GLN112 5.0 242.4 1.0
HB2 F:SER68 5.0 276.4 1.0
HA3 F:GLY74 5.0 325.1 1.0

Reference:

G.Fritz, G.Fritz. N/A N/A.
ISSN: ESSN 1545-9985
Page generated: Fri Aug 9 17:25:24 2024

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