Iron in PDB 7c8z: Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)

Enzymatic activity of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)

All present enzymatic activity of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase):
1.14.13.172;

Protein crystallography data

The structure of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase), PDB code: 7c8z was solved by D.F.Li, Y.J.Hou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.28 / 2.60
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 188.156, 188.156, 147.586, 90, 90, 120
R / Rfree (%) 19.2 / 23.8

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) (pdb code 7c8z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase), PDB code: 7c8z:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 7c8z

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Iron binding site 1 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:37.9
occ:1.00
 FE1 A:FES501 0.0 37.9 1.0
S2 A:FES501 2.2 39.4 1.0
S1 A:FES501 2.2 41.5 1.0
ND1 A:HIS114 2.5 48.5 1.0
ND1 A:HIS93 2.5 57.0 1.0
FE2 A:FES501 3.1 73.4 1.0
CG A:HIS93 3.2 55.4 1.0
CG A:HIS114 3.3 57.1 1.0
CB A:HIS93 3.4 53.4 1.0
CE1 A:HIS114 3.4 51.0 1.0
CE1 A:HIS93 3.4 57.3 1.0
CB A:HIS114 3.6 33.6 1.0
N A:HIS114 3.8 41.0 1.0
CB A:TYR113 3.9 37.9 1.0
CD2 A:HIS93 4.2 55.5 1.0
CA A:HIS114 4.3 35.4 1.0
CG A:TYR113 4.3 45.6 1.0
NE2 A:HIS93 4.3 61.2 1.0
CD2 A:TYR113 4.3 37.3 1.0
C A:TYR113 4.4 49.5 1.0
CD2 A:HIS114 4.4 63.7 1.0
NE2 A:HIS114 4.4 63.4 1.0
N A:ARG94 4.5 34.6 1.0
CA A:TYR113 4.7 52.2 1.0
CA A:HIS93 4.8 56.1 1.0
CB A:ARG94 4.8 38.6 1.0
SG A:CYS91 4.9 53.2 1.0
C A:HIS93 5.0 45.4 1.0

Iron binding site 2 out of 12 in 7c8z

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Iron binding site 2 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:73.4
occ:1.00
 FE2 A:FES501 0.0 73.4 1.0
S2 A:FES501 2.2 39.4 1.0
S1 A:FES501 2.2 41.5 1.0
SG A:CYS91 2.7 53.2 1.0
SG A:CYS111 2.7 52.0 1.0
CB A:CYS111 2.9 38.1 1.0
FE1 A:FES501 3.1 37.9 1.0
CB A:CYS91 3.4 38.9 1.0
CB A:HIS93 4.2 53.4 1.0
CA A:CYS111 4.3 32.6 1.0
O A:CYS111 4.4 46.4 1.0
C A:CYS111 4.5 34.9 1.0
CB A:TYR113 4.5 37.9 1.0
CB A:TRP116 4.5 47.1 1.0
N A:HIS114 4.7 41.0 1.0
CB A:MET96 4.8 37.5 1.0
CG A:TRP116 4.8 49.4 1.0
CA A:CYS91 4.9 33.1 1.0
N A:HIS93 4.9 51.4 1.0
ND1 A:HIS93 5.0 57.0 1.0
N A:TYR113 5.0 43.3 1.0

Iron binding site 3 out of 12 in 7c8z

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Iron binding site 3 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:59.3
occ:1.00
 OD1 A:ASP370 2.2 52.2 1.0
NE2 A:HIS229 2.2 65.7 1.0
O A:HOH614 2.3 33.0 1.0
NE2 A:HIS224 2.3 54.7 1.0
CG A:ASP370 3.0 59.1 1.0
CE1 A:HIS229 3.0 67.8 1.0
OD2 A:ASP370 3.1 75.3 1.0
CE1 A:HIS224 3.1 58.9 1.0
CD2 A:HIS229 3.3 69.7 1.0
CD2 A:HIS224 3.4 61.9 1.0
ND2 A:ASN218 3.5 37.6 1.0
ND1 A:HIS229 4.2 65.7 1.0
OD1 A:ASN218 4.2 51.9 1.0
CG A:ASN218 4.3 38.9 1.0
ND1 A:HIS224 4.3 56.4 1.0
CG A:HIS229 4.3 68.6 1.0
CD2 A:LEU228 4.3 61.5 1.0
CB A:ASP370 4.4 40.8 1.0
CG A:HIS224 4.5 57.1 1.0
CG A:PRO225 4.8 70.6 1.0
O A:ASN218 5.0 48.1 1.0

Iron binding site 4 out of 12 in 7c8z

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Iron binding site 4 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:51.8
occ:1.00
 FE1 C:FES501 0.0 51.8 1.0
S2 C:FES501 2.2 34.8 1.0
S1 C:FES501 2.2 37.2 1.0
SG C:CYS91 2.6 50.8 1.0
SG C:CYS111 2.6 61.1 1.0
FE2 C:FES501 3.0 52.7 1.0
CB C:CYS111 3.2 55.0 1.0
CB C:CYS91 3.3 37.3 1.0
CB C:HIS93 3.9 54.4 1.0
N C:ARG94 4.6 46.1 1.0
CB C:MET96 4.6 48.7 1.0
CB C:TYR113 4.6 39.2 1.0
CA C:CYS111 4.6 54.4 1.0
N C:HIS93 4.6 48.4 1.0
CB C:TRP116 4.7 54.9 1.0
CG C:HIS93 4.7 61.4 1.0
CA C:HIS93 4.8 57.6 1.0
CA C:CYS91 4.8 39.7 1.0
O C:CYS111 4.9 49.6 1.0
C C:CYS111 4.9 55.5 1.0
CG C:TRP116 4.9 57.4 1.0
N C:HIS114 4.9 48.6 1.0
CD2 C:HIS93 4.9 56.9 1.0

Iron binding site 5 out of 12 in 7c8z

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Iron binding site 5 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:52.7
occ:1.00
 FE2 C:FES501 0.0 52.7 1.0
S1 C:FES501 2.2 37.2 1.0
S2 C:FES501 2.2 34.8 1.0
ND1 C:HIS114 2.5 50.6 1.0
CD2 C:HIS93 2.6 56.9 1.0
FE1 C:FES501 3.0 51.8 1.0
CG C:HIS114 3.2 57.1 1.0
CG C:HIS93 3.2 61.4 1.0
CB C:HIS114 3.3 54.6 1.0
CB C:HIS93 3.4 54.4 1.0
CE1 C:HIS114 3.5 61.6 1.0
N C:HIS114 3.6 48.6 1.0
NE2 C:HIS93 3.7 67.0 1.0
CB C:TYR113 3.9 39.2 1.0
CA C:HIS114 4.1 54.2 1.0
C C:TYR113 4.3 49.9 1.0
CG C:TYR113 4.3 37.3 1.0
CD2 C:HIS114 4.3 57.1 1.0
ND1 C:HIS93 4.4 67.3 1.0
NE2 C:HIS114 4.4 62.0 1.0
CD2 C:TYR113 4.4 37.0 1.0
CE1 C:HIS93 4.6 64.9 1.0
N C:ARG94 4.6 46.1 1.0
CA C:TYR113 4.7 43.0 1.0
SG C:CYS111 4.8 61.1 1.0
CA C:HIS93 4.8 57.6 1.0
C C:HIS114 4.9 46.9 1.0
CD1 C:TRP116 4.9 56.4 1.0
CB C:ARG94 4.9 52.0 1.0
NE1 C:TRP116 5.0 53.7 1.0

Iron binding site 6 out of 12 in 7c8z

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Iron binding site 6 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:67.8
occ:1.00
 NE2 C:HIS229 2.0 82.1 1.0
NE2 C:HIS224 2.1 76.0 1.0
OD1 C:ASP370 2.2 49.5 1.0
CE1 C:HIS229 2.8 74.1 1.0
CE1 C:HIS224 2.9 70.0 1.0
CG C:ASP370 3.1 53.4 1.0
CD2 C:HIS229 3.2 71.2 1.0
CD2 C:HIS224 3.2 69.9 1.0
OD2 C:ASP370 3.3 58.8 1.0
OD1 C:ASN218 3.9 51.3 1.0
ND1 C:HIS229 4.0 74.8 1.0
ND1 C:HIS224 4.1 64.8 1.0
CG C:HIS229 4.2 71.0 1.0
ND2 C:ASN218 4.2 54.5 1.0
CG C:HIS224 4.3 60.5 1.0
CG C:ASN218 4.4 52.7 1.0
CB C:ASP370 4.5 48.8 1.0
CG C:PRO225 4.5 71.4 1.0
CD2 C:LEU228 4.7 50.5 1.0
CB C:PRO225 4.8 78.0 1.0
CA C:PRO225 4.8 72.7 1.0
O C:VAL366 4.9 64.2 1.0

Iron binding site 7 out of 12 in 7c8z

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Iron binding site 7 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe501

b:53.9
occ:1.00
 FE1 E:FES501 0.0 53.9 1.0
S2 E:FES501 2.2 51.4 1.0
S1 E:FES501 2.2 52.6 1.0
SG E:CYS111 2.7 61.7 1.0
SG E:CYS91 2.7 62.5 1.0
FE2 E:FES501 3.0 51.1 1.0
CB E:CYS111 3.1 55.7 1.0
CB E:CYS91 3.2 51.3 1.0
CB E:HIS93 4.0 51.9 1.0
CA E:CYS111 4.5 56.4 1.0
CB E:MET96 4.5 46.4 1.0
CA E:CYS91 4.7 54.3 1.0
CB E:TYR113 4.7 57.3 1.0
N E:ARG94 4.7 49.9 1.0
N E:HIS93 4.7 55.1 1.0
O E:CYS111 4.7 55.9 1.0
CB E:TRP116 4.7 59.2 1.0
C E:CYS111 4.7 62.3 1.0
ND1 E:HIS93 4.8 64.8 1.0
CG E:HIS93 4.9 60.5 1.0
CA E:HIS93 4.9 58.8 1.0
N E:MET96 5.0 48.7 1.0

Iron binding site 8 out of 12 in 7c8z

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Iron binding site 8 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe501

b:51.1
occ:1.00
 FE2 E:FES501 0.0 51.1 1.0
S1 E:FES501 2.2 52.6 1.0
S2 E:FES501 2.2 51.4 1.0
ND1 E:HIS114 2.5 58.6 1.0
ND1 E:HIS93 2.5 64.8 1.0
FE1 E:FES501 3.0 53.9 1.0
CG E:HIS114 3.2 65.1 1.0
CG E:HIS93 3.3 60.5 1.0
CB E:HIS114 3.3 56.8 1.0
N E:HIS114 3.5 52.0 1.0
CB E:HIS93 3.5 51.9 1.0
CE1 E:HIS93 3.5 70.3 1.0
CE1 E:HIS114 3.5 58.8 1.0
CB E:TYR113 3.8 57.3 1.0
CA E:HIS114 4.0 62.0 1.0
C E:TYR113 4.2 59.8 1.0
CG E:TYR113 4.4 50.4 1.0
CD2 E:HIS114 4.4 69.5 1.0
CD2 E:HIS93 4.5 68.9 1.0
NE2 E:HIS93 4.5 72.5 1.0
CD2 E:TYR113 4.5 49.5 1.0
NE2 E:HIS114 4.5 68.7 1.0
CA E:TYR113 4.5 58.8 1.0
N E:ARG94 4.7 49.9 1.0
C E:HIS114 4.7 64.7 1.0
CA E:HIS93 4.8 58.8 1.0
SG E:CYS111 4.9 61.7 1.0
CD1 E:TRP116 4.9 63.6 1.0

Iron binding site 9 out of 12 in 7c8z

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Iron binding site 9 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe502

b:55.2
occ:1.00
 NE2 E:HIS224 2.1 52.1 1.0
NE2 E:HIS229 2.2 59.9 1.0
OD1 E:ASP370 2.3 68.0 1.0
CE1 E:HIS224 2.9 49.0 1.0
CE1 E:HIS229 3.1 47.8 1.0
CG E:ASP370 3.1 54.3 1.0
CD2 E:HIS229 3.2 56.8 1.0
OD2 E:ASP370 3.3 68.5 1.0
CD2 E:HIS224 3.3 55.3 1.0
OD1 E:ASN218 3.8 58.7 1.0
ND1 E:HIS224 4.1 46.0 1.0
ND2 E:ASN218 4.1 43.4 1.0
ND1 E:HIS229 4.2 51.2 1.0
CG E:HIS224 4.3 48.0 1.0
CG E:ASN218 4.3 57.7 1.0
CG E:HIS229 4.3 59.9 1.0
CB E:ASP370 4.5 46.8 1.0
CG E:PRO225 4.7 47.4 1.0
O E:ASN218 4.9 46.6 1.0

Iron binding site 10 out of 12 in 7c8z

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Iron binding site 10 out of 12 in the Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe501

b:55.0
occ:1.00
 FE1 G:FES501 0.0 55.0 1.0
S1 G:FES501 2.2 44.5 1.0
S2 G:FES501 2.2 32.8 1.0
ND1 G:HIS114 2.5 54.4 1.0
ND1 G:HIS93 2.6 62.9 1.0
FE2 G:FES501 3.0 53.1 1.0
CG G:HIS114 3.1 63.2 1.0
CB G:HIS114 3.2 56.8 1.0
CG G:HIS93 3.3 56.4 1.0
N G:HIS114 3.5 71.5 1.0
CB G:HIS93 3.5 49.8 1.0
CE1 G:HIS93 3.5 62.8 1.0
CE1 G:HIS114 3.5 55.6 1.0
CA G:HIS114 3.9 66.0 1.0
CB G:TYR113 3.9 42.1 1.0
C G:TYR113 4.2 64.8 1.0
CD2 G:HIS114 4.3 64.5 1.0
CD2 G:HIS93 4.4 61.0 1.0
CG G:TYR113 4.4 41.1 1.0
NE2 G:HIS114 4.5 63.0 1.0
NE2 G:HIS93 4.5 64.8 1.0
CD G:ARG94 4.6 54.6 1.0
CA G:TYR113 4.6 51.1 1.0
N G:ARG94 4.6 47.9 1.0
C G:HIS114 4.6 72.3 1.0
CD2 G:TYR113 4.7 40.4 1.0
CA G:HIS93 4.8 57.5 1.0
CD1 G:TRP116 4.8 63.4 1.0
SG G:CYS111 4.8 58.7 1.0
NE1 G:TRP116 4.9 65.2 1.0
CB G:ARG94 5.0 48.4 1.0

Reference:

Y.J.Hou, Y.Guo, D.F.Li, N.Y.Zhou. Crystal Structure of Salicylate 5-Hydroxylase Naggh (A Rieske Non-Heme Iron-Dependent Monooxgenase) To Be Published.
Page generated: Sun Jan 24 17:10:33 2021

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