Atomistry » Iron » PDB 1tfz-1ubh » 1th4
Atomistry »
  Iron »
    PDB 1tfz-1ubh »
      1th4 »

Iron in PDB 1th4: Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole

Enzymatic activity of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole

All present enzymatic activity of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole, PDB code: 1th4 was solved by R.Sugadev, M.N.Ponnuswamy, D.Kumaran, S.Swaminathan, K.Sekar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.90 / 2.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.030, 141.090, 231.000, 90.00, 90.00, 90.00
R / Rfree (%) 23.5 / 29.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole (pdb code 1th4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole, PDB code: 1th4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1th4

Go back to Iron Binding Sites List in 1th4
Iron binding site 1 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe2000

b:83.9
occ:1.00
FE A:HEM2000 0.0 83.9 1.0
NC A:HEM2000 2.0 98.1 1.0
ND A:HEM2000 2.0 89.1 1.0
NA A:HEM2000 2.2 83.4 1.0
NB A:HEM2000 2.3 91.4 1.0
OH A:TYR357 2.3 50.1 1.0
C4D A:HEM2000 3.0 84.7 1.0
C1C A:HEM2000 3.0 98.8 1.0
C4C A:HEM2000 3.1 0.5 1.0
C1D A:HEM2000 3.1 92.8 1.0
C1A A:HEM2000 3.1 82.9 1.0
C4B A:HEM2000 3.2 94.5 1.0
C4A A:HEM2000 3.3 82.7 1.0
C1B A:HEM2000 3.3 93.6 1.0
CHA A:HEM2000 3.4 81.5 1.0
CHC A:HEM2000 3.5 96.0 1.0
CHD A:HEM2000 3.5 98.7 1.0
CZ A:TYR357 3.7 52.0 1.0
CHB A:HEM2000 3.7 89.1 1.0
O A:HOH2154 4.1 33.6 1.0
C3D A:HEM2000 4.3 82.9 1.0
C2C A:HEM2000 4.3 0.8 1.0
C2D A:HEM2000 4.3 88.1 1.0
C3C A:HEM2000 4.3 0.8 1.0
C2A A:HEM2000 4.4 86.5 1.0
CE2 A:TYR357 4.4 51.3 1.0
C3A A:HEM2000 4.4 82.6 1.0
C3B A:HEM2000 4.5 98.3 1.0
CD A:ARG353 4.5 80.5 1.0
NE A:ARG353 4.5 95.0 1.0
C2B A:HEM2000 4.5 99.7 1.0
CE1 A:TYR357 4.6 49.9 1.0
CG A:ARG353 4.9 66.4 1.0

Iron binding site 2 out of 4 in 1th4

Go back to Iron Binding Sites List in 1th4
Iron binding site 2 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2001

b:64.2
occ:1.00
FE B:HEM2001 0.0 64.2 1.0
ND B:HEM2001 2.0 61.7 1.0
NB B:HEM2001 2.0 33.4 1.0
NA B:HEM2001 2.0 54.7 1.0
NC B:HEM2001 2.3 56.0 1.0
OH B:TYR357 2.8 6.4 1.0
C4D B:HEM2001 3.0 62.9 1.0
C4B B:HEM2001 3.0 23.6 1.0
C1A B:HEM2001 3.0 57.4 1.0
C1D B:HEM2001 3.0 59.5 1.0
C4A B:HEM2001 3.1 50.1 1.0
C1B B:HEM2001 3.1 34.6 1.0
C1C B:HEM2001 3.2 56.4 1.0
CHC B:HEM2001 3.3 36.7 1.0
CHA B:HEM2001 3.4 63.5 1.0
C4C B:HEM2001 3.4 66.2 1.0
CHB B:HEM2001 3.5 36.2 1.0
CZ B:TYR357 3.8 23.4 1.0
CHD B:HEM2001 3.8 63.4 1.0
CD2 B:HIS74 3.9 38.3 1.0
NE2 B:HIS74 4.2 43.0 1.0
C3B B:HEM2001 4.2 28.4 1.0
C2D B:HEM2001 4.2 57.8 1.0
C3D B:HEM2001 4.2 59.0 1.0
C2A B:HEM2001 4.2 49.5 1.0
C3A B:HEM2001 4.3 45.9 1.0
C2B B:HEM2001 4.3 30.3 1.0
CE2 B:TYR357 4.3 28.0 1.0
C2C B:HEM2001 4.5 65.5 1.0
NH2 B:ARG353 4.6 38.5 1.0
C3C B:HEM2001 4.6 70.3 1.0
CE1 B:TYR357 4.6 29.1 1.0
CG B:HIS74 4.6 39.3 1.0
CB B:VAL73 4.6 24.6 1.0

Iron binding site 3 out of 4 in 1th4

Go back to Iron Binding Sites List in 1th4
Iron binding site 3 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe2002

b:68.1
occ:1.00
FE C:HEM2002 0.0 68.1 1.0
ND C:HEM2002 1.9 68.9 1.0
NC C:HEM2002 2.0 66.5 1.0
NA C:HEM2002 2.0 67.2 1.0
NB C:HEM2002 2.0 55.9 1.0
OH C:TYR357 2.8 36.0 1.0
C4D C:HEM2002 3.0 67.9 1.0
C1A C:HEM2002 3.0 70.6 1.0
C1D C:HEM2002 3.0 63.7 1.0
C4C C:HEM2002 3.0 71.4 1.0
C1C C:HEM2002 3.0 66.3 1.0
C4A C:HEM2002 3.1 58.1 1.0
C4B C:HEM2002 3.1 51.8 1.0
C1B C:HEM2002 3.1 57.8 1.0
CHA C:HEM2002 3.4 72.5 1.0
CHD C:HEM2002 3.4 67.2 1.0
CHC C:HEM2002 3.4 55.7 1.0
CHB C:HEM2002 3.5 53.5 1.0
CG2 C:VAL73 3.7 4.2 1.0
CZ C:TYR357 3.8 52.7 1.0
CD2 C:HIS74 4.1 30.2 1.0
CE2 C:TYR357 4.2 49.7 1.0
NE2 C:HIS74 4.2 23.3 1.0
C2D C:HEM2002 4.2 62.2 1.0
C3D C:HEM2002 4.2 63.4 1.0
C2A C:HEM2002 4.2 62.0 1.0
C3C C:HEM2002 4.3 75.6 1.0
C2C C:HEM2002 4.3 72.1 1.0
C3A C:HEM2002 4.3 56.2 1.0
C3B C:HEM2002 4.3 52.0 1.0
C2B C:HEM2002 4.3 55.1 1.0
NH1 C:ARG353 4.6 52.4 1.0
CZ C:PHE160 4.6 46.8 1.0
CE1 C:TYR357 4.9 55.3 1.0
CG C:HIS74 4.9 30.8 1.0
CB C:VAL73 5.0 14.5 1.0
CE1 C:HIS74 5.0 33.1 1.0

Iron binding site 4 out of 4 in 1th4

Go back to Iron Binding Sites List in 1th4
Iron binding site 4 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe2003

b:51.4
occ:1.00
FE D:HEM2003 0.0 51.4 1.0
NC D:HEM2003 1.8 51.6 1.0
NA D:HEM2003 1.9 36.8 1.0
ND D:HEM2003 2.0 41.8 1.0
NB D:HEM2003 2.0 38.6 1.0
OH D:TYR357 2.2 4.2 1.0
N3A D:3TR3074 2.5 0.8 1.0
C3 D:3TR3074 2.8 99.3 1.0
C1C D:HEM2003 2.8 55.1 1.0
C4C D:HEM2003 2.8 56.0 1.0
C1A D:HEM2003 2.9 35.4 1.0
C4A D:HEM2003 3.0 34.4 1.0
C1D D:HEM2003 3.0 43.8 1.0
C4D D:HEM2003 3.0 36.0 1.0
C1B D:HEM2003 3.0 38.8 1.0
C4B D:HEM2003 3.1 46.4 1.0
N4 D:3TR3074 3.1 96.9 1.0
CHC D:HEM2003 3.2 50.7 1.0
CHD D:HEM2003 3.3 48.7 1.0
CZ D:TYR357 3.3 18.0 1.0
CHB D:HEM2003 3.4 30.1 1.0
N2 D:3TR3074 3.4 99.8 1.0
CHA D:HEM2003 3.4 42.8 1.0
NH2 D:ARG353 3.6 52.8 1.0
CE2 D:TYR357 3.8 21.1 1.0
C5 D:3TR3074 3.9 90.0 1.0
C2C D:HEM2003 4.0 55.1 1.0
C3C D:HEM2003 4.1 59.2 1.0
N1 D:3TR3074 4.1 94.6 1.0
C2A D:HEM2003 4.2 34.1 1.0
C3A D:HEM2003 4.2 33.3 1.0
C2D D:HEM2003 4.3 40.4 1.0
C3D D:HEM2003 4.3 34.9 1.0
C2B D:HEM2003 4.3 47.1 1.0
C3B D:HEM2003 4.3 46.9 1.0
NE D:ARG353 4.4 45.4 1.0
CE1 D:TYR357 4.4 18.5 1.0
CD2 D:HIS74 4.4 69.0 1.0
CZ D:ARG353 4.4 51.3 1.0
CG2 D:VAL73 4.4 57.8 1.0
NE2 D:HIS74 4.5 77.3 1.0
CZ D:PHE160 4.9 28.6 1.0

Reference:

R.Sugadev, M.N.Ponnuswamy, D.Kumaran, S.Swaminathan, K.Sekar. Crystal Structure of Bovine Liver Catalase To Be Published.
Page generated: Wed Jul 16 21:01:11 2025

Last articles

Na in 7TXR
Na in 7TZS
Na in 7TZR
Na in 7TXP
Na in 7TVF
Na in 7TXQ
Na in 7TWA
Na in 7TPM
Na in 7TO6
Na in 7TUM
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy