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Iron in PDB 4b2o: Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.

Protein crystallography data

The structure of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses., PDB code: 4b2o was solved by J.A.Newman, C.Diethmaier, A.T.Kovacs, C.Rodrigues, O.P.Kuipers, J.Stulke, R.J.Lewis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.738 / 1.64
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.855, 105.997, 77.920, 90.00, 108.30, 90.00
R / Rfree (%) 15.89 / 18.54

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. (pdb code 4b2o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses., PDB code: 4b2o:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 4b2o

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Iron binding site 1 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


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 Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1266

b:18.5
occ:1.00
O A:HOH2010 2.1 18.1 1.0
OD2 A:ASP8 2.1 15.0 1.0
OD1 A:ASN40 2.1 12.6 1.0
NE2 A:HIS177 2.2 13.8 1.0
OE2 A:GLU39 2.2 11.9 1.0
O1 A:PO41265 2.6 22.0 1.0
CG A:ASN40 3.1 14.5 1.0
CE1 A:HIS177 3.1 13.8 1.0
CG A:ASP8 3.1 15.7 1.0
CD A:GLU39 3.2 14.2 1.0
CD2 A:HIS177 3.2 13.3 1.0
ND2 A:ASN40 3.4 16.0 1.0
FE A:FE21267 3.4 14.3 1.0
CG A:GLU39 3.5 13.0 1.0
CB A:ASP8 3.6 12.0 1.0
P A:PO41265 3.7 23.6 1.0
O3 A:PO41265 3.9 18.5 1.0
CE1 A:HIS150 4.0 11.6 1.0
O4 A:PO41265 4.1 24.6 1.0
ND1 A:HIS177 4.2 12.0 1.0
O A:HIS175 4.2 11.4 1.0
OD1 A:ASP8 4.3 19.2 1.0
NE2 A:HIS150 4.3 11.8 1.0
CG A:HIS177 4.3 11.4 1.0
OE1 A:GLU39 4.3 13.7 1.0
CB A:ASN40 4.4 13.8 1.0
CA A:HIS175 4.6 10.5 1.0
C A:HIS175 4.8 10.2 1.0
O A:HOH2087 4.9 30.1 1.0
ND1 A:HIS175 4.9 11.9 1.0
CA A:ASP8 5.0 11.5 1.0
CB A:GLU39 5.0 13.6 1.0

Iron binding site 2 out of 8 in 4b2o

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Iron binding site 2 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


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 Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1267

b:14.3
occ:1.00
O A:HOH2010 2.1 18.1 1.0
OD1 A:ASN67 2.1 16.9 1.0
O3 A:PO41265 2.1 18.5 1.0
NE2 A:HIS150 2.1 11.8 1.0
ND1 A:HIS175 2.1 11.9 1.0
OE2 A:GLU39 2.2 11.9 1.0
CE1 A:HIS175 2.9 14.9 1.0
CE1 A:HIS150 3.0 11.6 1.0
CD A:GLU39 3.1 14.2 1.0
CD2 A:HIS150 3.2 12.1 1.0
CG A:ASN67 3.2 16.9 1.0
P A:PO41265 3.3 23.6 1.0
CG A:HIS175 3.3 9.2 1.0
OE1 A:GLU39 3.3 13.7 1.0
FE A:FE21266 3.4 18.5 1.0
O1 A:PO41265 3.6 22.0 1.0
ND2 A:ASN67 3.7 17.0 1.0
O4 A:PO41265 3.7 24.6 1.0
CB A:HIS175 3.8 10.2 1.0
CA A:HIS175 3.9 10.5 1.0
O A:HIS175 4.1 11.4 1.0
NE2 A:HIS175 4.1 15.7 1.0
ND1 A:HIS150 4.2 10.4 1.0
OD2 A:ASP8 4.2 15.0 1.0
CG A:HIS150 4.3 11.0 1.0
CD2 A:HIS175 4.3 14.2 1.0
CD2 A:HIS68 4.3 18.9 1.0
N A:ASN67 4.4 12.0 1.0
CG A:GLU39 4.4 13.0 1.0
CB A:ASN67 4.5 15.0 1.0
C A:HIS175 4.5 10.2 1.0
O2 A:PO41265 4.6 23.5 1.0
NE2 A:HIS68 4.9 18.1 1.0

Iron binding site 3 out of 8 in 4b2o

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Iron binding site 3 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1266

b:19.3
occ:1.00
OD1 B:ASN40 2.1 13.3 1.0
O B:HOH2008 2.1 19.5 1.0
OD2 B:ASP8 2.1 15.0 1.0
NE2 B:HIS177 2.2 12.1 1.0
OE2 B:GLU39 2.2 12.8 1.0
O4 B:PO41265 2.6 20.1 1.0
CG B:ASN40 3.1 15.2 1.0
CE1 B:HIS177 3.1 12.1 1.0
CG B:ASP8 3.2 16.7 1.0
CD2 B:HIS177 3.2 12.3 1.0
CD B:GLU39 3.2 14.6 1.0
FE B:FE21267 3.4 14.6 1.0
ND2 B:ASN40 3.5 15.6 1.0
CG B:GLU39 3.5 14.2 1.0
CB B:ASP8 3.6 12.5 1.0
P B:PO41265 3.7 22.8 1.0
O2 B:PO41265 3.9 19.4 1.0
O1 B:PO41265 4.0 28.2 1.0
CE1 B:HIS150 4.0 10.5 1.0
ND1 B:HIS177 4.2 11.7 1.0
O B:HIS175 4.3 11.8 1.0
NE2 B:HIS150 4.3 11.1 1.0
OD1 B:ASP8 4.3 20.0 1.0
CG B:HIS177 4.3 11.3 1.0
OE1 B:GLU39 4.4 13.8 1.0
CB B:ASN40 4.4 9.8 1.0
CA B:HIS175 4.6 9.7 1.0
C B:HIS175 4.8 9.1 1.0
ND1 B:HIS175 4.9 11.6 1.0
CA B:ASP8 5.0 11.0 1.0

Iron binding site 4 out of 8 in 4b2o

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Iron binding site 4 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1267

b:14.6
occ:1.00
OD1 B:ASN67 2.1 16.9 1.0
NE2 B:HIS150 2.2 11.1 1.0
O2 B:PO41265 2.2 19.4 1.0
ND1 B:HIS175 2.2 11.6 1.0
OE2 B:GLU39 2.3 12.8 1.0
O B:HOH2008 2.3 19.5 1.0
CE1 B:HIS175 2.9 15.6 1.0
CE1 B:HIS150 3.1 10.5 1.0
CD B:GLU39 3.1 14.6 1.0
CD2 B:HIS150 3.2 10.6 1.0
CG B:ASN67 3.2 16.5 1.0
P B:PO41265 3.3 22.8 1.0
CG B:HIS175 3.3 12.2 1.0
OE1 B:GLU39 3.4 13.8 1.0
FE B:FE21266 3.4 19.3 1.0
O4 B:PO41265 3.6 20.1 1.0
ND2 B:ASN67 3.7 17.4 1.0
O1 B:PO41265 3.7 28.2 1.0
CB B:HIS175 3.8 10.4 1.0
CA B:HIS175 3.9 9.7 1.0
O B:HIS175 4.1 11.8 1.0
NE2 B:HIS175 4.1 15.2 1.0
ND1 B:HIS150 4.2 9.6 1.0
OD2 B:ASP8 4.2 15.0 1.0
CG B:HIS150 4.3 9.0 1.0
N B:ASN67 4.3 9.8 1.0
CD2 B:HIS175 4.4 14.0 1.0
CD2 B:HIS68 4.4 17.6 1.0
CG B:GLU39 4.4 14.2 1.0
CB B:ASN67 4.5 13.2 1.0
C B:HIS175 4.5 9.1 1.0
O3 B:PO41265 4.6 22.5 1.0
NE2 B:HIS68 4.9 19.1 1.0
CA B:ASN67 5.0 11.8 1.0

Iron binding site 5 out of 8 in 4b2o

Go back to Iron Binding Sites List in 4b2o
Iron binding site 5 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1266

b:14.3
occ:1.00
OD1 C:ASN67 2.1 15.9 1.0
NE2 C:HIS150 2.1 9.0 1.0
O4 C:PO41265 2.1 19.2 1.0
ND1 C:HIS175 2.1 10.8 1.0
O C:HOH2008 2.2 19.5 1.0
OE2 C:GLU39 2.3 14.2 1.0
CE1 C:HIS175 2.9 14.0 1.0
CE1 C:HIS150 3.0 12.3 1.0
CD C:GLU39 3.1 14.4 1.0
CD2 C:HIS150 3.2 10.7 1.0
CG C:ASN67 3.2 16.3 1.0
CG C:HIS175 3.3 9.9 1.0
P C:PO41265 3.3 23.9 1.0
OE1 C:GLU39 3.4 14.9 1.0
FE C:FE21267 3.4 18.2 1.0
O2 C:PO41265 3.7 24.1 1.0
ND2 C:ASN67 3.7 17.7 1.0
CB C:HIS175 3.8 10.4 1.0
O3 C:PO41265 3.8 23.3 1.0
CA C:HIS175 3.9 9.3 1.0
O C:HIS175 4.1 9.8 1.0
NE2 C:HIS175 4.1 12.8 1.0
ND1 C:HIS150 4.2 12.1 1.0
OD2 C:ASP8 4.2 15.7 1.0
CG C:HIS150 4.3 8.6 1.0
CD2 C:HIS175 4.3 12.9 1.0
N C:ASN67 4.3 11.7 1.0
CG C:GLU39 4.4 13.7 1.0
CD2 C:HIS68 4.4 19.8 1.0
CB C:ASN67 4.5 11.9 1.0
C C:HIS175 4.5 8.9 1.0
O1 C:PO41265 4.6 24.9 1.0
CA C:ASN67 5.0 10.3 1.0

Iron binding site 6 out of 8 in 4b2o

Go back to Iron Binding Sites List in 4b2o
Iron binding site 6 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1267

b:18.2
occ:1.00
OD2 C:ASP8 2.0 15.7 1.0
OD1 C:ASN40 2.1 14.8 1.0
NE2 C:HIS177 2.1 11.4 1.0
OE2 C:GLU39 2.2 14.2 1.0
O C:HOH2008 2.2 19.5 1.0
O2 C:PO41265 2.6 24.1 1.0
CE1 C:HIS177 3.1 13.3 1.0
CG C:ASN40 3.1 15.8 1.0
CG C:ASP8 3.1 14.2 1.0
CD2 C:HIS177 3.2 12.2 1.0
CD C:GLU39 3.2 14.4 1.0
FE C:FE21266 3.4 14.3 1.0
ND2 C:ASN40 3.4 17.5 1.0
CG C:GLU39 3.6 13.7 1.0
CB C:ASP8 3.6 12.0 1.0
P C:PO41265 3.7 23.9 1.0
O4 C:PO41265 3.8 19.2 1.0
CE1 C:HIS150 4.0 12.3 1.0
O3 C:PO41265 4.0 23.3 1.0
O C:HIS175 4.2 9.8 1.0
ND1 C:HIS177 4.2 14.0 1.0
OD1 C:ASP8 4.2 21.4 1.0
NE2 C:HIS150 4.2 9.0 1.0
CG C:HIS177 4.3 11.2 1.0
OE1 C:GLU39 4.3 14.9 1.0
CB C:ASN40 4.5 11.8 1.0
CA C:HIS175 4.5 9.3 1.0
C C:HIS175 4.7 8.9 1.0
ND1 C:HIS175 4.8 10.8 1.0
CA C:ASP8 5.0 12.8 1.0

Iron binding site 7 out of 8 in 4b2o

Go back to Iron Binding Sites List in 4b2o
Iron binding site 7 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1266

b:13.9
occ:1.00
NE2 D:HIS150 2.1 10.8 1.0
O1 D:PO41265 2.1 15.4 1.0
OD1 D:ASN67 2.2 14.9 1.0
ND1 D:HIS175 2.2 10.9 1.0
OE2 D:GLU39 2.3 14.3 1.0
O D:HOH2005 2.4 17.2 1.0
CE1 D:HIS175 3.0 13.4 1.0
CE1 D:HIS150 3.0 11.3 1.0
CD D:GLU39 3.1 13.8 1.0
CD2 D:HIS150 3.2 9.9 1.0
CG D:ASN67 3.3 19.1 1.0
P D:PO41265 3.3 22.8 1.0
CG D:HIS175 3.3 11.2 1.0
OE1 D:GLU39 3.4 13.8 1.0
FE D:FE21267 3.4 17.4 1.0
O3 D:PO41265 3.6 21.8 1.0
O2 D:PO41265 3.7 24.4 1.0
ND2 D:ASN67 3.8 18.0 1.0
CB D:HIS175 3.8 8.8 1.0
CA D:HIS175 3.9 9.9 1.0
O D:HIS175 4.1 11.1 1.0
ND1 D:HIS150 4.2 11.0 1.0
NE2 D:HIS175 4.2 14.5 1.0
OD2 D:ASP8 4.2 15.1 1.0
CG D:HIS150 4.3 9.4 1.0
CD2 D:HIS175 4.3 12.9 1.0
CG D:GLU39 4.4 12.1 1.0
N D:ASN67 4.4 9.9 1.0
CD2 D:HIS68 4.4 13.6 1.0
CB D:ASN67 4.6 14.4 1.0
C D:HIS175 4.6 8.8 1.0
O4 D:PO41265 4.6 23.5 1.0
NE2 D:HIS68 5.0 23.9 1.0

Iron binding site 8 out of 8 in 4b2o

Go back to Iron Binding Sites List in 4b2o
Iron binding site 8 out of 8 in the Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Bacillus Subtilis Ymdb, A Global Regulator of Late Adaptive Responses. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1267

b:17.4
occ:1.00
OD1 D:ASN40 2.1 12.2 1.0
OD2 D:ASP8 2.1 15.1 1.0
NE2 D:HIS177 2.2 11.0 1.0
O D:HOH2005 2.2 17.2 1.0
OE2 D:GLU39 2.2 14.3 1.0
O3 D:PO41265 2.6 21.8 1.0
CG D:ASN40 3.1 13.9 1.0
CD2 D:HIS177 3.1 12.9 1.0
CE1 D:HIS177 3.1 11.4 1.0
CG D:ASP8 3.2 16.8 1.0
CD D:GLU39 3.2 13.8 1.0
FE D:FE21266 3.4 13.9 1.0
ND2 D:ASN40 3.4 15.5 1.0
CG D:GLU39 3.6 12.1 1.0
CB D:ASP8 3.6 12.2 1.0
P D:PO41265 3.7 22.8 1.0
O1 D:PO41265 3.9 15.4 1.0
O2 D:PO41265 4.0 24.4 1.0
CE1 D:HIS150 4.1 11.3 1.0
OD1 D:ASP8 4.3 21.6 1.0
ND1 D:HIS177 4.3 11.9 1.0
O D:HIS175 4.3 11.1 1.0
CG D:HIS177 4.3 10.9 1.0
NE2 D:HIS150 4.3 10.8 1.0
OE1 D:GLU39 4.4 13.8 1.0
CB D:ASN40 4.4 11.9 1.0
CA D:HIS175 4.6 9.9 1.0
C D:HIS175 4.8 8.8 1.0
ND1 D:HIS175 4.9 10.9 1.0
CA D:ASP8 5.0 11.4 1.0

Reference:

C.Diethmaier, J.A.Newman, A.T.Kovacs, V.Kaever, C.Herzberg, C.Rodrigues, M.Boonstra, O.P.Kuipers, R.J.Lewis, J.Stulke. The Ymdb Phosphodiesterase Is A Global Regulator of Late Adaptive Responses in Bacillus Subtilis. J.Bacteriol. V. 196 265 2014.
ISSN: ISSN 0021-9193
PubMed: 24163345
DOI: 10.1128/JB.00826-13
Page generated: Sun Aug 4 23:50:06 2024

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