Iron in PDB 3e4w: Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form.

The structure of Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form., PDB code: 3e4w was solved by S.Pakhomova, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.50 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.721, 81.620, 163.108, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21

The binding sites of Iron atom in the Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form. (pdb code 3e4w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form., PDB code: 3e4w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form.


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 A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:26.0 occ:1.00 FE A:HEM501 0.0 26.0 1.0 NA A:HEM501 2.0 25.3 1.0 NC A:HEM501 2.0 24.4 1.0 ND A:HEM501 2.0 24.1 1.0 NB A:HEM501 2.0 25.9 1.0 OH A:TYR294 2.3 25.9 1.0 C1D A:HEM501 3.0 24.6 1.0 C4D A:HEM501 3.0 24.6 1.0 C1A A:HEM501 3.0 25.6 1.0 C4B A:HEM501 3.0 25.2 1.0 C1C A:HEM501 3.0 24.1 1.0 C1B A:HEM501 3.0 26.2 1.0 C4C A:HEM501 3.0 23.0 1.0 C4A A:HEM501 3.0 25.6 1.0 CZ A:TYR294 3.3 24.9 1.0 CHD A:HEM501 3.4 24.5 1.0 CHC A:HEM501 3.4 25.4 1.0 CHA A:HEM501 3.4 25.0 1.0 CHB A:HEM501 3.4 26.8 1.0 CE2 A:TYR294 3.6 25.9 1.0 NE A:ARG290 4.1 22.6 1.0 NH2 A:ARG290 4.2 20.1 1.0 C2A A:HEM501 4.2 25.5 1.0 C3A A:HEM501 4.2 26.2 1.0 C2C A:HEM501 4.2 24.2 1.0 C3C A:HEM501 4.3 24.4 1.0 C2B A:HEM501 4.3 25.4 1.0 C2D A:HEM501 4.3 24.6 1.0 C3D A:HEM501 4.3 23.9 1.0 C3B A:HEM501 4.3 25.3 1.0 CE1 A:TYR294 4.4 24.3 1.0 C6 A:HEZ1100 4.4 49.3 1.0 C5 A:HEZ1100 4.4 48.5 1.0 CZ A:ARG290 4.5 24.4 1.0 CD2 A:HIS28 4.5 25.4 1.0 NE2 A:HIS28 4.8 26.8 1.0 CD2 A:TYR294 4.9 24.4 1.0 O A:HOH1261 4.9 22.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form.


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 A 33KDA Catalase-Related Protein From Mycobacterium Avium Subsp. Paratuberculosis. P2(1)2(1)2(1) Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:25.0 occ:1.00 FE B:HEM502 0.0 25.0 1.0 NA B:HEM502 2.0 24.5 1.0 NC B:HEM502 2.0 23.7 1.0 ND B:HEM502 2.0 25.0 1.0 NB B:HEM502 2.0 25.3 1.0 OH B:TYR294 2.3 27.6 1.0 C1D B:HEM502 3.0 25.1 1.0 C4D B:HEM502 3.0 25.7 1.0 C1A B:HEM502 3.0 23.9 1.0 C4C B:HEM502 3.0 25.2 1.0 C1C B:HEM502 3.0 24.9 1.0 C4B B:HEM502 3.0 25.1 1.0 C1B B:HEM502 3.0 25.5 1.0 C4A B:HEM502 3.0 24.9 1.0 CZ B:TYR294 3.3 26.4 1.0 CHD B:HEM502 3.4 23.2 1.0 CHA B:HEM502 3.4 24.2 1.0 CHC B:HEM502 3.4 23.9 1.0 CHB B:HEM502 3.4 25.5 1.0 CE2 B:TYR294 3.7 26.8 1.0 NE B:ARG290 4.1 20.5 1.0 NH2 B:ARG290 4.2 19.4 1.0 C2A B:HEM502 4.2 24.0 1.0 C3A B:HEM502 4.2 24.2 1.0 C2C B:HEM502 4.2 23.9 1.0 C2D B:HEM502 4.3 26.1 1.0 C3C B:HEM502 4.3 23.8 1.0 C2B B:HEM502 4.3 26.9 1.0 C3D B:HEM502 4.3 25.4 1.0 C5 B:HEZ1140 4.3 48.4 1.0 C6 B:HEZ1140 4.3 48.8 1.0 C3B B:HEM502 4.3 24.4 1.0 CZ B:ARG290 4.4 21.6 1.0 CE1 B:TYR294 4.5 25.4 1.0 CD2 B:HIS28 4.5 23.7 1.0 NE2 B:HIS28 4.8 24.3 1.0 CD2 B:TYR294 5.0 25.9 1.0 O B:HOH1318 5.0 26.3 1.0

S.Pakhomova, B.Gao, W.E.Boeglin, A.R.Brash, M.E.Newcomer. The Structure and Peroxidase Activity of A 33-kDa Catalase-Related Protein From Mycobacterium Avium Ssp. Paratuberculosis. Protein Sci. V. 18 2559 2009.
ISSN: ISSN 0961-8368
PubMed: 19827095
DOI: 10.1002/PRO.265