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Iron in PDB 2i5n: 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique

Protein crystallography data

The structure of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique, PDB code: 2i5n was solved by L.Li, D.Mustafi, Q.Fu, V.Tereshko, D.L.Chen, J.D.Tice, R.F.Ismagilov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.96
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 220.400, 220.400, 113.009, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 19

Other elements in 2i5n:

The structure of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique (pdb code 2i5n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique, PDB code: 2i5n:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 2i5n

Go back to Iron Binding Sites List in 2i5n
Iron binding site 1 out of 5 in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:25.2
occ:1.00
FE C:HEC401 0.0 25.2 1.0
NA C:HEC401 2.0 26.0 1.0
NE2 C:HIS91 2.0 26.9 1.0
NC C:HEC401 2.1 23.5 1.0
NB C:HEC401 2.1 23.9 1.0
ND C:HEC401 2.1 23.9 1.0
SD C:MET74 2.2 24.5 1.0
CE1 C:HIS91 3.0 28.3 1.0
C4A C:HEC401 3.0 27.0 1.0
CD2 C:HIS91 3.0 26.5 1.0
C1B C:HEC401 3.1 23.9 1.0
C1D C:HEC401 3.1 25.2 1.0
C4C C:HEC401 3.1 25.2 1.0
C1A C:HEC401 3.1 29.0 1.0
C1C C:HEC401 3.1 25.8 1.0
C4B C:HEC401 3.1 23.3 1.0
C4D C:HEC401 3.1 26.1 1.0
CE C:MET74 3.4 26.2 1.0
CG C:MET74 3.4 20.8 1.0
CHB C:HEC401 3.4 26.1 1.0
CHD C:HEC401 3.4 24.7 1.0
CHC C:HEC401 3.5 24.6 1.0
CHA C:HEC401 3.5 25.6 1.0
ND1 C:HIS91 4.1 24.6 1.0
CG C:HIS91 4.2 26.8 1.0
CB C:MET74 4.2 23.0 1.0
C3A C:HEC401 4.3 29.7 1.0
C2A C:HEC401 4.3 29.0 1.0
C2D C:HEC401 4.3 26.8 1.0
C2B C:HEC401 4.3 23.8 1.0
C3D C:HEC401 4.3 25.0 1.0
C3C C:HEC401 4.3 23.5 1.0
C3B C:HEC401 4.3 24.5 1.0
C2C C:HEC401 4.3 24.5 1.0

Iron binding site 2 out of 5 in 2i5n

Go back to Iron Binding Sites List in 2i5n
Iron binding site 2 out of 5 in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe402

b:22.1
occ:1.00
FE C:HEC402 0.0 22.1 1.0
NB C:HEC402 2.0 21.3 1.0
NE2 C:HIS136 2.1 20.6 1.0
ND C:HEC402 2.1 23.6 1.0
NA C:HEC402 2.1 22.6 1.0
NC C:HEC402 2.1 20.2 1.0
SD C:MET110 2.2 23.7 1.0
CE1 C:HIS136 3.0 19.1 1.0
C1B C:HEC402 3.0 21.6 1.0
C4A C:HEC402 3.1 21.6 1.0
C4B C:HEC402 3.1 22.6 1.0
C1D C:HEC402 3.1 22.7 1.0
C1A C:HEC402 3.1 21.9 1.0
C4D C:HEC402 3.1 22.2 1.0
C1C C:HEC402 3.1 18.9 1.0
C4C C:HEC402 3.1 20.8 1.0
CD2 C:HIS136 3.1 18.5 1.0
CE C:MET110 3.3 22.4 1.0
CG C:MET110 3.4 23.8 1.0
CHB C:HEC402 3.4 20.8 1.0
CHC C:HEC402 3.4 20.7 1.0
CHD C:HEC402 3.4 21.3 1.0
CHA C:HEC402 3.5 22.4 1.0
ND1 C:HIS136 4.1 17.7 1.0
CB C:MET110 4.1 23.3 1.0
CG C:HIS136 4.2 20.0 1.0
C2B C:HEC402 4.3 20.6 1.0
C3B C:HEC402 4.3 20.9 1.0
C3A C:HEC402 4.3 23.6 1.0
C2A C:HEC402 4.3 23.3 1.0
C2D C:HEC402 4.3 24.0 1.0
C3D C:HEC402 4.3 26.1 1.0
C2C C:HEC402 4.3 20.0 1.0
C3C C:HEC402 4.3 18.9 1.0

Iron binding site 3 out of 5 in 2i5n

Go back to Iron Binding Sites List in 2i5n
Iron binding site 3 out of 5 in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe403

b:17.3
occ:1.00
FE C:HEC403 0.0 17.3 1.0
NB C:HEC403 2.0 16.5 1.0
NC C:HEC403 2.1 16.3 1.0
NE2 C:HIS248 2.1 17.2 1.0
NA C:HEC403 2.1 15.3 1.0
ND C:HEC403 2.1 16.2 1.0
SD C:MET233 2.2 16.7 1.0
CD2 C:HIS248 3.0 17.0 1.0
C4B C:HEC403 3.0 19.8 1.0
C1C C:HEC403 3.0 15.4 1.0
C1B C:HEC403 3.1 16.9 1.0
C4A C:HEC403 3.1 15.3 1.0
CE1 C:HIS248 3.1 16.4 1.0
C4C C:HEC403 3.1 15.2 1.0
C1D C:HEC403 3.1 18.8 1.0
C1A C:HEC403 3.1 16.0 1.0
C4D C:HEC403 3.1 18.7 1.0
CE C:MET233 3.3 16.6 1.0
CG C:MET233 3.4 18.2 1.0
CHC C:HEC403 3.4 16.9 1.0
CHB C:HEC403 3.4 16.4 1.0
CHD C:HEC403 3.5 17.3 1.0
CHA C:HEC403 3.5 16.6 1.0
ND1 C:HIS248 4.2 16.3 1.0
CG C:HIS248 4.2 18.0 1.0
CB C:MET233 4.2 18.8 1.0
C3B C:HEC403 4.3 18.1 1.0
C2B C:HEC403 4.3 16.4 1.0
C2C C:HEC403 4.3 18.1 1.0
C3A C:HEC403 4.3 18.6 1.0
C2D C:HEC403 4.3 16.4 1.0
C3C C:HEC403 4.3 15.6 1.0
C2A C:HEC403 4.3 17.6 1.0
C3D C:HEC403 4.3 18.8 1.0

Iron binding site 4 out of 5 in 2i5n

Go back to Iron Binding Sites List in 2i5n
Iron binding site 4 out of 5 in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe404

b:19.4
occ:1.00
FE C:HEC404 0.0 19.4 1.0
NE2 C:HIS124 2.0 23.2 1.0
NB C:HEC404 2.1 18.8 1.0
NE2 C:HIS309 2.1 18.1 1.0
ND C:HEC404 2.1 18.9 1.0
NA C:HEC404 2.1 16.7 1.0
NC C:HEC404 2.1 20.0 1.0
CE1 C:HIS309 2.9 20.5 1.0
CE1 C:HIS124 3.0 19.2 1.0
C1B C:HEC404 3.1 17.7 1.0
C4A C:HEC404 3.1 17.3 1.0
C1D C:HEC404 3.1 19.6 1.0
C4B C:HEC404 3.1 18.8 1.0
CD2 C:HIS124 3.1 19.9 1.0
C4D C:HEC404 3.1 18.8 1.0
C1C C:HEC404 3.1 19.6 1.0
C1A C:HEC404 3.1 17.3 1.0
C4C C:HEC404 3.1 20.5 1.0
CD2 C:HIS309 3.2 17.1 1.0
CHB C:HEC404 3.4 16.4 1.0
CHD C:HEC404 3.4 19.6 1.0
CHC C:HEC404 3.4 17.7 1.0
CHA C:HEC404 3.5 18.5 1.0
ND1 C:HIS124 4.1 20.7 1.0
ND1 C:HIS309 4.1 20.1 1.0
CG C:HIS124 4.2 20.7 1.0
CG C:HIS309 4.2 16.9 1.0
C2B C:HEC404 4.3 18.6 1.0
C3D C:HEC404 4.3 21.5 1.0
C3A C:HEC404 4.3 18.0 1.0
C2D C:HEC404 4.3 21.4 1.0
C3B C:HEC404 4.3 19.9 1.0
C2A C:HEC404 4.3 18.6 1.0
C2C C:HEC404 4.3 19.3 1.0
C3C C:HEC404 4.3 19.4 1.0
CD C:PRO315 4.8 21.5 1.0
CG C:PRO315 4.9 21.1 1.0

Iron binding site 5 out of 5 in 2i5n

Go back to Iron Binding Sites List in 2i5n
Iron binding site 5 out of 5 in the 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 1.96 A X-Ray Structure of Photosynthetic Reaction Center From Rhodopseudomonas Viridis:Crystals Grown By Microfluidic Technique within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Fe500

b:16.4
occ:1.00
OE2 M:GLU232 2.1 18.1 1.0
NE2 L:HIS190 2.1 18.1 1.0
NE2 M:HIS217 2.1 15.4 1.0
NE2 L:HIS230 2.1 17.9 1.0
NE2 M:HIS264 2.1 17.2 1.0
OE1 M:GLU232 2.5 19.5 1.0
CD M:GLU232 2.6 17.6 1.0
CE1 L:HIS190 3.0 18.8 1.0
CE1 M:HIS217 3.0 14.7 1.0
CE1 L:HIS230 3.0 16.9 1.0
CE1 M:HIS264 3.1 18.2 1.0
CD2 L:HIS190 3.2 17.1 1.0
CD2 M:HIS217 3.2 15.2 1.0
CD2 M:HIS264 3.2 16.0 1.0
CD2 L:HIS230 3.2 15.6 1.0
CG M:GLU232 4.1 17.4 1.0
ND1 L:HIS190 4.1 18.8 1.0
ND1 M:HIS217 4.2 15.2 1.0
ND1 L:HIS230 4.2 14.6 1.0
ND1 M:HIS264 4.2 16.5 1.0
CG L:HIS190 4.3 17.6 1.0
CG M:HIS217 4.3 15.4 1.0
CG M:HIS264 4.3 16.2 1.0
CG L:HIS230 4.3 17.1 1.0
CG1 M:ILE221 4.5 16.5 1.0
CG1 L:ILE194 4.6 19.1 1.0
O M:HOH859 4.8 19.3 1.0

Reference:

L.Li, D.Mustafi, Q.Fu, V.Tereshko, D.L.Chen, J.D.Tice, R.F.Ismagilov. Nanoliter Microfluidic Hybrid Method For Simultaneous Screening and Optimization Validated with Crystallization of Membrane Proteins. Proc.Natl.Acad.Sci.Usa V. 103 19243 2006.
ISSN: ISSN 0027-8424
PubMed: 17159147
DOI: 10.1073/PNAS.0607502103
Page generated: Sat Aug 3 23:13:05 2024

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