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Iron in PDB 2hmq: The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution

Protein crystallography data

The structure of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution, PDB code: 2hmq was solved by M.A.Holmes, R.E.Stenkamp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.66
Space group P 4
Cell size a, b, c (Å), α, β, γ (°) 86.600, 86.600, 80.800, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Iron Binding Sites:

The binding sites of Iron atom in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution (pdb code 2hmq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution, PDB code: 2hmq:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 2hmq

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Iron binding site 1 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe115

b:12.0
occ:1.00
 FE1 A:FEO115 0.0 12.0 1.0
NE2 A:HIS101 2.1 10.2 1.0
O A:FEO115 2.1 5.0 1.0
OD1 A:ASP106 2.2 11.3 1.0
NE2 A:HIS73 2.2 8.1 1.0
NE2 A:HIS77 2.2 10.6 1.0
OE1 A:GLU58 2.2 8.9 1.0
CE1 A:HIS101 3.1 9.6 1.0
CG A:ASP106 3.1 9.0 1.0
CD2 A:HIS101 3.1 10.6 1.0
CD A:GLU58 3.1 5.8 1.0
CE1 A:HIS73 3.1 8.0 1.0
CE1 A:HIS77 3.2 8.4 1.0
CD2 A:HIS77 3.2 9.1 1.0
CD2 A:HIS73 3.2 8.5 1.0
FE2 A:FEO115 3.2 13.4 1.0
OE2 A:GLU58 3.4 9.4 1.0
OD2 A:ASP106 3.4 12.5 1.0
CG A:HIS101 4.2 8.9 1.0
ND1 A:HIS77 4.2 8.1 1.0
ND1 A:HIS101 4.3 9.4 1.0
ND1 A:HIS73 4.3 11.0 1.0
CG A:HIS77 4.3 9.6 1.0
O A:HOH135 4.3 42.1 1.0
CG A:HIS73 4.4 8.7 1.0
CG A:GLU58 4.5 5.9 1.0
CB A:ASP106 4.5 8.4 1.0
NE2 A:HIS54 4.6 9.6 1.0
CE1 A:PHE55 4.7 9.3 1.0
CD1 A:PHE55 4.8 10.9 1.0
CA A:ASP106 4.9 9.8 1.0
CE2 A:TYR109 4.9 7.8 1.0

Iron binding site 2 out of 8 in 2hmq

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Iron binding site 2 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe115

b:13.4
occ:1.00
 FE2 A:FEO115 0.0 13.4 1.0
O A:FEO115 1.4 5.0 1.0
OE2 A:GLU58 2.1 9.4 1.0
OD2 A:ASP106 2.1 12.5 1.0
NE2 A:HIS25 2.1 10.4 1.0
NE2 A:HIS54 2.2 9.6 1.0
O A:HOH135 2.7 42.1 1.0
CD A:GLU58 3.0 5.8 1.0
CG A:ASP106 3.0 9.0 1.0
CE1 A:HIS25 3.1 10.6 1.0
CD2 A:HIS25 3.1 9.1 1.0
CE1 A:HIS54 3.1 7.3 1.0
FE1 A:FEO115 3.2 12.0 1.0
CD2 A:HIS54 3.2 8.9 1.0
OD1 A:ASP106 3.3 11.3 1.0
OE1 A:GLU58 3.4 8.9 1.0
ND1 A:HIS25 4.2 9.1 1.0
CG A:HIS25 4.2 10.7 1.0
CG A:GLU58 4.3 5.9 1.0
OH A:TYR109 4.3 13.9 1.0
ND1 A:HIS54 4.3 6.4 1.0
CB A:ASP106 4.3 8.4 1.0
CG A:HIS54 4.3 5.1 1.0
CD2 A:HIS101 4.4 10.6 1.0
NE2 A:HIS101 4.4 10.2 1.0
CG1 A:VAL21 4.5 11.9 0.5
CG2 A:VAL21 4.5 11.9 0.5
NE2 A:HIS77 4.7 10.6 1.0
CB A:GLU58 4.8 6.3 1.0
CG1 A:ILE102 4.9 8.6 1.0

Iron binding site 3 out of 8 in 2hmq

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Iron binding site 3 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe115

b:18.3
occ:1.00
 FE1 B:FEO115 0.0 18.3 1.0
OD1 B:ASP106 1.9 17.2 1.0
O B:FEO115 2.0 12.4 1.0
NE2 B:HIS77 2.1 15.2 1.0
NE2 B:HIS101 2.2 14.4 1.0
OE1 B:GLU58 2.2 15.6 1.0
NE2 B:HIS73 2.3 14.5 1.0
CG B:ASP106 3.0 10.7 1.0
CD2 B:HIS101 3.0 17.4 1.0
CE1 B:HIS77 3.0 13.7 1.0
CD B:GLU58 3.1 10.5 1.0
CD2 B:HIS77 3.2 13.2 1.0
FE2 B:FEO115 3.2 19.4 1.0
CE1 B:HIS101 3.2 17.2 1.0
CD2 B:HIS73 3.3 11.2 1.0
CE1 B:HIS73 3.3 13.6 1.0
OE2 B:GLU58 3.4 16.0 1.0
OD2 B:ASP106 3.4 16.5 1.0
ND1 B:HIS77 4.2 16.1 1.0
CG B:HIS101 4.2 16.2 1.0
ND1 B:HIS101 4.3 14.1 1.0
CG B:HIS77 4.3 13.9 1.0
ND1 B:HIS73 4.4 16.9 1.0
CG B:HIS73 4.4 12.5 1.0
CB B:ASP106 4.4 12.8 1.0
NE2 B:HIS54 4.5 12.4 1.0
CG B:GLU58 4.5 14.1 1.0
CE1 B:PHE55 4.6 15.9 1.0
CD1 B:PHE55 4.7 14.7 1.0
CA B:ASP106 5.0 14.6 1.0

Iron binding site 4 out of 8 in 2hmq

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Iron binding site 4 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe115

b:19.4
occ:1.00
 FE2 B:FEO115 0.0 19.4 1.0
O B:FEO115 1.6 12.4 1.0
NE2 B:HIS25 2.0 12.9 1.0
OD2 B:ASP106 2.0 16.5 1.0
OE2 B:GLU58 2.1 16.0 1.0
NE2 B:HIS54 2.3 12.4 1.0
CD B:GLU58 3.0 10.5 1.0
CE1 B:HIS25 3.0 14.2 1.0
CE1 B:HIS54 3.0 13.2 1.0
CG B:ASP106 3.0 10.7 1.0
CD2 B:HIS25 3.1 8.9 1.0
OD1 B:ASP106 3.2 17.2 1.0
FE1 B:FEO115 3.2 18.3 1.0
OE1 B:GLU58 3.4 15.6 1.0
CD2 B:HIS54 3.4 13.1 1.0
ND1 B:HIS25 4.1 10.8 1.0
CG B:HIS25 4.2 10.0 1.0
ND1 B:HIS54 4.2 13.9 1.0
OH B:TYR109 4.3 17.5 1.0
CG B:GLU58 4.3 14.1 1.0
CB B:ASP106 4.3 12.8 1.0
CG B:HIS54 4.4 11.3 1.0
CD2 B:HIS101 4.4 17.4 1.0
NE2 B:HIS101 4.5 14.4 1.0
CG1 B:VAL21 4.5 13.4 0.5
CG2 B:VAL21 4.5 13.4 0.5
NE2 B:HIS77 4.6 15.2 1.0
CB B:GLU58 4.9 11.2 1.0
CG1 B:ILE102 5.0 11.2 1.0

Iron binding site 5 out of 8 in 2hmq

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Iron binding site 5 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe115

b:14.2
occ:1.00
 FE1 C:FEO115 0.0 14.2 1.0
O C:FEO115 1.8 8.7 1.0
OD1 C:ASP106 2.1 13.8 1.0
NE2 C:HIS77 2.1 11.7 1.0
NE2 C:HIS73 2.2 10.0 1.0
NE2 C:HIS101 2.2 12.2 1.0
OE1 C:GLU58 2.3 12.3 1.0
CE1 C:HIS77 3.1 9.3 1.0
CG C:ASP106 3.1 11.5 1.0
CD C:GLU58 3.2 9.2 1.0
CE1 C:HIS73 3.2 8.4 1.0
FE2 C:FEO115 3.2 17.1 1.0
CD2 C:HIS101 3.2 12.1 1.0
CD2 C:HIS77 3.2 9.3 1.0
CE1 C:HIS101 3.2 11.7 1.0
CD2 C:HIS73 3.3 7.5 1.0
OE2 C:GLU58 3.4 11.8 1.0
OD2 C:ASP106 3.4 13.7 1.0
ND1 C:HIS77 4.2 12.8 1.0
CG C:HIS77 4.3 9.8 1.0
CG C:HIS101 4.3 10.4 1.0
ND1 C:HIS73 4.3 13.1 1.0
ND1 C:HIS101 4.3 11.0 1.0
CG C:HIS73 4.4 11.2 1.0
O C:HOH147 4.5 25.2 1.0
CB C:ASP106 4.5 9.6 1.0
CG C:GLU58 4.6 10.3 1.0
NE2 C:HIS54 4.6 8.5 1.0
CE1 C:PHE55 4.6 14.5 1.0
CD1 C:PHE55 4.7 12.1 1.0
CA C:ASP106 4.9 12.5 1.0
N C:ASP106 5.0 14.8 1.0

Iron binding site 6 out of 8 in 2hmq

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Iron binding site 6 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe115

b:17.1
occ:1.00
 FE2 C:FEO115 0.0 17.1 1.0
O C:FEO115 1.7 8.7 1.0
OE2 C:GLU58 2.1 11.8 1.0
OD2 C:ASP106 2.1 13.7 1.0
NE2 C:HIS25 2.1 10.0 1.0
NE2 C:HIS54 2.2 8.5 1.0
O C:HOH147 2.8 25.2 1.0
CD C:GLU58 3.0 9.2 1.0
CG C:ASP106 3.0 11.5 1.0
CD2 C:HIS25 3.1 9.5 1.0
CE1 C:HIS54 3.1 9.3 1.0
CE1 C:HIS25 3.1 8.7 1.0
FE1 C:FEO115 3.2 14.2 1.0
CD2 C:HIS54 3.2 7.6 1.0
OD1 C:ASP106 3.2 13.8 1.0
OE1 C:GLU58 3.4 12.3 1.0
ND1 C:HIS25 4.2 9.3 1.0
CG C:HIS25 4.3 8.6 1.0
ND1 C:HIS54 4.3 10.7 1.0
CG C:HIS54 4.3 7.7 1.0
OH C:TYR109 4.3 14.1 1.0
CG C:GLU58 4.3 10.3 1.0
CB C:ASP106 4.4 9.6 1.0
CD2 C:HIS101 4.4 12.1 1.0
NE2 C:HIS101 4.5 12.2 1.0
CG2 C:VAL21 4.6 12.4 0.5
CG1 C:VAL21 4.6 12.4 0.5
NE2 C:HIS77 4.7 11.7 1.0
CB C:GLU58 4.8 10.6 1.0
CG1 C:ILE102 4.9 12.2 1.0

Iron binding site 7 out of 8 in 2hmq

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Iron binding site 7 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe115

b:11.5
occ:1.00
 FE1 D:FEO115 0.0 11.5 1.0
O D:FEO115 1.9 6.9 1.0
OD1 D:ASP106 2.0 10.0 1.0
NE2 D:HIS101 2.2 8.8 1.0
OE1 D:GLU58 2.2 9.4 1.0
NE2 D:HIS77 2.2 9.4 1.0
NE2 D:HIS73 2.3 9.5 1.0
CG D:ASP106 3.0 5.9 1.0
CD2 D:HIS101 3.1 8.9 1.0
CE1 D:HIS77 3.1 7.5 1.0
CD D:GLU58 3.1 6.1 1.0
CE1 D:HIS101 3.2 11.3 1.0
FE2 D:FEO115 3.2 13.3 1.0
CE1 D:HIS73 3.2 6.9 1.0
CD2 D:HIS77 3.2 9.0 1.0
CD2 D:HIS73 3.3 6.7 1.0
OD2 D:ASP106 3.4 9.6 1.0
OE2 D:GLU58 3.4 9.9 1.0
CG D:HIS101 4.2 7.3 1.0
ND1 D:HIS101 4.3 9.8 1.0
ND1 D:HIS77 4.3 9.1 1.0
ND1 D:HIS73 4.3 10.1 1.0
CG D:HIS77 4.3 9.6 1.0
CG D:HIS73 4.5 6.9 1.0
CB D:ASP106 4.5 6.8 1.0
CG D:GLU58 4.5 8.3 1.0
NE2 D:HIS54 4.5 7.1 1.0
CD1 D:PHE55 4.7 11.1 1.0
CE1 D:PHE55 4.7 11.2 1.0
CA D:ASP106 4.9 9.6 1.0
CE2 D:TYR109 4.9 6.8 1.0
CB D:GLU58 5.0 7.9 1.0

Iron binding site 8 out of 8 in 2hmq

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Iron binding site 8 out of 8 in the The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Structures of Met and Azidomet Hemerythrin at 1.66 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe115

b:13.3
occ:1.00
 FE2 D:FEO115 0.0 13.3 1.0
O D:FEO115 1.6 6.9 1.0
OE2 D:GLU58 2.1 9.9 1.0
NE2 D:HIS25 2.1 11.0 1.0
OD2 D:ASP106 2.1 9.6 1.0
NE2 D:HIS54 2.2 7.1 1.0
CD D:GLU58 2.9 6.1 1.0
CE1 D:HIS25 3.1 9.6 1.0
CE1 D:HIS54 3.1 8.2 1.0
CG D:ASP106 3.1 5.9 1.0
CD2 D:HIS25 3.1 6.5 1.0
FE1 D:FEO115 3.2 11.5 1.0
CD2 D:HIS54 3.2 6.4 1.0
OE1 D:GLU58 3.2 9.4 1.0
OD1 D:ASP106 3.3 10.0 1.0
ND1 D:HIS25 4.2 9.4 1.0
ND1 D:HIS54 4.2 6.8 1.0
CG D:HIS25 4.2 7.9 1.0
CG D:GLU58 4.2 8.3 1.0
OH D:TYR109 4.2 12.1 1.0
CG D:HIS54 4.3 5.5 1.0
CD2 D:HIS101 4.3 8.9 1.0
CB D:ASP106 4.4 6.8 1.0
CG1 D:VAL21 4.4 9.1 0.5
CG2 D:VAL21 4.4 9.1 0.5
NE2 D:HIS101 4.4 8.8 1.0
NE2 D:HIS77 4.7 9.4 1.0
CB D:GLU58 4.8 7.9 1.0
CG1 D:ILE102 4.9 8.0 1.0

Reference:

M.A.Holmes, R.E.Stenkamp. Structures of Met and Azidomet Hemerythrin at 1.66 A Resolution. J.Mol.Biol. V. 220 723 1991.
ISSN: ISSN 0022-2836
PubMed: 1870128
DOI: 10.1016/0022-2836(91)90113-K
Page generated: Sat Aug 3 23:04:40 2024

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