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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.

Protein crystallography data

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

Iron Binding Sites:

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 3e4w

Go back to Iron Binding Sites List in 3e4w
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 3e4w

Go back to Iron Binding Sites List in 3e4w
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

Reference:

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
Page generated: Sun Dec 13 15:04:24 2020

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