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Iron in PDB 3bww: Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution

Protein crystallography data

The structure of Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution, PDB code: 3bww was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.69 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.572, 65.992, 95.585, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 26

Other elements in 3bww:

The structure of Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution also contains other interesting chemical elements:

Arsenic (As) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution (pdb code 3bww). 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 DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution, PDB code: 3bww:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3bww

Go back to Iron Binding Sites List in 3bww
Iron binding site 1 out of 2 in the Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution


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 DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe307

b:32.9
occ:1.00
O A:HOH334 1.7 32.6 1.0
NE2 A:HIS94 2.0 41.1 1.0
OE1 A:GLU138 2.1 46.0 1.0
NE2 A:HIS59 2.2 34.1 1.0
O1 A:CAC309 2.3 50.9 1.0
O A:HOH323 2.4 29.3 1.0
CE1 A:HIS94 2.8 43.5 1.0
CD A:GLU138 3.1 41.0 1.0
CE1 A:HIS59 3.1 32.7 1.0
CD2 A:HIS94 3.1 43.9 1.0
CD2 A:HIS59 3.3 33.6 1.0
OE2 A:GLU138 3.3 42.1 1.0
AS A:CAC309 3.5 52.9 1.0
FE A:FE308 3.7 30.6 1.0
O2 A:CAC309 3.9 50.2 1.0
O A:HOH429 3.9 51.9 1.0
ND1 A:HIS94 4.0 43.0 1.0
CG A:HIS94 4.2 45.1 1.0
ND1 A:HIS59 4.3 35.5 1.0
C1 A:CAC309 4.4 51.4 1.0
CG A:HIS59 4.4 36.3 1.0
OE2 A:GLU270 4.4 54.2 1.0
CE1 A:HIS203 4.4 39.9 1.0
CG A:GLU138 4.5 38.8 1.0
ND1 A:HIS203 4.7 39.1 1.0
CB A:GLU138 4.8 39.4 1.0

Iron binding site 2 out of 2 in 3bww

Go back to Iron Binding Sites List in 3bww
Iron binding site 2 out of 2 in the Crystal Structure of A DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution


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 DUF692 Family Protein (HS_1138) From Haemophilus Somnus 129PT at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe308

b:30.6
occ:1.00
OE2 A:GLU138 2.0 42.1 1.0
O2 A:CAC309 2.1 50.2 1.0
OD2 A:ASP171 2.2 42.5 1.0
ND1 A:HIS203 2.3 39.1 1.0
OE1 A:GLU270 2.4 51.0 1.0
O A:HOH334 2.4 32.6 1.0
CD A:GLU270 3.1 54.2 1.0
CE1 A:HIS203 3.2 39.9 1.0
OE2 A:GLU270 3.2 54.2 1.0
CD A:GLU138 3.2 41.0 1.0
CG A:ASP171 3.3 42.0 1.0
CG A:HIS203 3.4 39.1 1.0
AS A:CAC309 3.4 52.9 1.0
FE A:FE307 3.7 32.9 1.0
OE1 A:GLU138 3.7 46.0 1.0
CB A:HIS203 3.7 38.3 1.0
CB A:ASP171 3.8 40.9 1.0
O1 A:CAC309 4.0 50.9 1.0
O A:HOH370 4.0 39.8 1.0
C1 A:CAC309 4.1 51.4 1.0
O A:HOH363 4.2 38.6 1.0
NE2 A:HIS203 4.4 38.7 1.0
OD1 A:ASP171 4.4 45.8 1.0
ND2 A:ASN174 4.4 39.2 1.0
CD2 A:HIS203 4.5 40.1 1.0
CG A:GLU138 4.5 38.8 1.0
CG A:GLU270 4.5 53.9 1.0
NE2 A:HIS169 4.7 39.0 1.0
NE2 A:HIS59 4.7 34.1 1.0
CB A:GLU270 5.0 54.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Dec 13 15:02:18 2020

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