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Iron in PDB 6q09: Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii

Protein crystallography data

The structure of Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6q09 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.46 / 1.75
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 52.490, 52.490, 104.420, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 22.5

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii (pdb code 6q09). 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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6q09:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6q09

Go back to Iron Binding Sites List in 6q09
Iron binding site 1 out of 2 in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii


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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:33.6
occ:0.75
O A:HOH444 1.7 32.5 1.0
NE2 A:HIS45 1.9 31.4 1.0
OE1 A:GLU109 2.0 45.4 1.0
OE2 A:GLU49 2.1 32.5 1.0
NE2 A:HIS11 2.2 48.3 1.0
CD2 A:HIS45 2.8 29.8 1.0
CD A:GLU109 3.0 44.0 1.0
CE1 A:HIS45 3.0 30.3 1.0
CD A:GLU49 3.0 31.9 1.0
CE1 A:HIS11 3.1 53.5 1.0
CD2 A:HIS11 3.2 47.1 1.0
FE A:FE301 3.2 33.7 0.6
OE2 A:GLU109 3.3 43.3 1.0
OE1 A:GLU49 3.4 27.8 1.0
CG A:HIS45 4.0 23.7 1.0
ND1 A:HIS45 4.0 30.9 1.0
NE2 A:HIS105 4.1 48.5 1.0
ND1 A:HIS11 4.2 50.6 1.0
CG A:HIS11 4.3 45.3 1.0
CG A:GLU109 4.3 45.0 1.0
CG A:GLU49 4.3 20.9 1.0
CD2 A:HIS105 4.8 47.8 1.0
CD2 A:LEU7 4.8 34.7 1.0
CB A:GLU109 4.8 35.1 1.0

Iron binding site 2 out of 2 in 6q09

Go back to Iron Binding Sites List in 6q09
Iron binding site 2 out of 2 in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii


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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:33.7
occ:0.59
OE2 A:GLU109 2.0 43.3 1.0
NE2 A:HIS105 2.0 48.5 1.0
OE1 A:GLU49 2.0 27.8 1.0
NE2 A:HIS71 2.4 41.6 1.0
O A:HOH444 2.5 32.5 1.0
CE1 A:HIS105 2.5 48.7 1.0
CD A:GLU49 2.9 31.9 1.0
CD A:GLU109 2.9 44.0 1.0
OH A:TYR54 3.0 41.8 1.0
OE2 A:GLU49 3.2 32.5 1.0
FE A:FE300 3.2 33.6 0.8
OE1 A:GLU109 3.3 45.4 1.0
CD2 A:HIS71 3.3 38.7 1.0
CD2 A:HIS105 3.3 47.8 1.0
CE1 A:HIS71 3.4 39.0 1.0
ND1 A:HIS105 3.8 53.6 1.0
CE1 A:PHE46 4.0 40.7 1.0
CZ A:TYR54 4.1 36.8 1.0
CG A:HIS105 4.2 47.0 1.0
CD1 A:PHE46 4.2 27.9 1.0
CG A:GLU109 4.3 45.0 1.0
CG A:GLU49 4.3 20.9 1.0
NE2 A:HIS45 4.4 31.4 1.0
CD2 A:HIS45 4.4 29.8 1.0
ND1 A:HIS71 4.5 39.7 1.0
CG A:HIS71 4.5 38.8 1.0
CB A:GLU49 4.6 21.5 1.0
CB A:GLU109 4.8 35.1 1.0
CE2 A:TYR54 4.8 42.7 1.0
CZ A:PHE46 5.0 37.4 1.0

Reference:

Z.Ma, J.Abendroth, G.W.Buchko, K.H.Rohde, V.L.Davidson. Crystal Structure of A Hemerythrin-Like Protein From Mycobacterium Kansasii and Homology Model of the Orthologous RV2633C Protein of M. Tuberculosis. Biochem.J. 2020.
ISSN: ESSN 1470-8728
PubMed: 31913442
DOI: 10.1042/BCJ20190827
Page generated: Wed Aug 7 06:46:38 2024

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