Iron in PDB 3dby: Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)

The structure of Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target), PDB code: 3dby was solved by U.A.Ramagopal, J.B.Bonanno, S.Ozyurt, J.Freeman, S.Wasserman, S.Hu, C.Groshong, L.Rodgers, S.K.Burley, S.C.Almo, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	H 3 1
Cell size a, b, c (Å), α, β, γ (°)	167.808, 167.808, 582.661, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 25.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) (pdb code 3dby). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target), PDB code: 3dby:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe306 b:38.5 occ:1.00 O A:HOH414 2.0 24.4 1.0 OE2 A:GLU238 2.2 17.8 1.0 NE2 A:HIS24 2.2 15.5 1.0 OE1 A:GLU107 2.3 29.4 1.0 NE2 A:HIS234 2.4 15.5 1.0 CD A:GLU238 2.9 17.9 1.0 CD A:GLU107 3.0 23.8 1.0 OE2 A:GLU107 3.1 24.0 1.0 OE1 A:GLU238 3.1 17.4 1.0 FE A:FE307 3.1 43.5 1.0 CE1 A:HIS24 3.1 12.6 1.0 CE1 A:HIS234 3.2 15.8 1.0 CD2 A:HIS24 3.3 14.4 1.0 CD2 A:HIS234 3.6 12.3 1.0 O A:HOH343 4.0 24.6 1.0 ND1 A:HIS24 4.3 15.8 1.0 CG A:GLU238 4.3 17.0 1.0 CG1 A:VAL20 4.4 16.2 1.0 CG A:HIS24 4.4 15.4 1.0 ND1 A:HIS234 4.4 17.4 1.0 CG A:GLU107 4.5 18.5 1.0 CG A:HIS234 4.6 15.4 1.0 NE2 A:HIS143 4.7 13.8 1.0 CB A:GLU107 4.9 18.3 1.0

Iron binding site 2 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe307 b:43.5 occ:1.00 OE1 A:GLU238 2.2 17.4 1.0 OE2 A:GLU107 2.2 24.0 1.0 NE2 A:HIS143 2.3 13.8 1.0 OD2 A:ASP139 2.3 27.4 1.0 O A:HOH414 2.5 24.4 1.0 O A:HOH343 2.7 24.6 1.0 CE1 A:HIS143 2.9 9.7 1.0 CG A:ASP139 3.1 21.9 1.0 FE A:FE306 3.1 38.5 1.0 OD1 A:ASP139 3.2 23.8 1.0 CD A:GLU238 3.2 17.9 1.0 CD A:GLU107 3.3 23.8 1.0 CD2 A:HIS143 3.4 13.3 1.0 OE2 A:GLU238 3.6 17.8 1.0 OE1 A:GLU107 3.7 29.4 1.0 ND1 A:HIS143 4.1 12.6 1.0 O A:HOH315 4.2 20.0 1.0 CG A:HIS143 4.3 15.1 1.0 CG A:GLU107 4.5 18.5 1.0 CB A:ASP139 4.5 18.5 1.0 CG A:GLU238 4.6 17.0 1.0 NE2 A:HIS234 4.6 15.5 1.0 CZ3 A:TRP136 4.7 18.9 1.0 CB A:GLU238 4.7 15.6 1.0 O A:ASP139 4.8 14.6 1.0

Iron binding site 3 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe306 b:35.3 occ:1.00 OE2 B:GLU238 2.1 14.7 1.0 O B:HOH450 2.2 12.2 1.0 OE1 B:GLU107 2.2 20.3 1.0 NE2 B:HIS24 2.3 9.3 1.0 NE2 B:HIS234 2.4 11.6 1.0 CD B:GLU238 2.9 12.3 1.0 OE1 B:GLU238 3.1 16.5 1.0 CE1 B:HIS234 3.1 8.9 1.0 CD B:GLU107 3.2 19.0 1.0 FE B:FE307 3.2 32.3 1.0 CD2 B:HIS24 3.2 10.8 1.0 CE1 B:HIS24 3.3 10.2 1.0 OE2 B:GLU107 3.5 18.2 1.0 CD2 B:HIS234 3.5 12.4 1.0 O B:HOH449 4.0 21.1 1.0 CG1 B:VAL20 4.2 10.2 1.0 CG B:GLU238 4.3 12.9 1.0 ND1 B:HIS234 4.3 12.2 1.0 ND1 B:HIS24 4.4 10.5 1.0 CG B:HIS24 4.4 11.5 1.0 CG B:GLU107 4.5 14.9 1.0 CG B:HIS234 4.5 14.5 1.0 NE2 B:HIS143 4.7 10.6 1.0 CB B:GLU107 4.9 13.0 1.0

Iron binding site 4 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe307 b:32.3 occ:1.00 OE2 B:GLU107 2.1 18.2 1.0 OD1 B:ASP139 2.2 19.2 1.0 OE1 B:GLU238 2.3 16.5 1.0 NE2 B:HIS143 2.3 10.6 1.0 O B:HOH450 2.4 12.2 1.0 O B:HOH449 2.5 21.1 1.0 CE1 B:HIS143 3.0 9.4 1.0 CD B:GLU107 3.1 19.0 1.0 CG B:ASP139 3.1 17.3 1.0 FE B:FE306 3.2 35.3 1.0 CD B:GLU238 3.3 12.3 1.0 OD2 B:ASP139 3.3 24.0 1.0 OE1 B:GLU107 3.4 20.3 1.0 CD2 B:HIS143 3.4 9.6 1.0 OE2 B:GLU238 3.6 14.7 1.0 ND1 B:HIS143 4.1 11.0 1.0 O B:HOH455 4.2 13.2 1.0 CG B:HIS143 4.4 10.2 1.0 CG B:GLU107 4.4 14.9 1.0 CB B:ASP139 4.5 16.0 1.0 CG B:GLU238 4.6 12.9 1.0 NE2 B:HIS234 4.7 11.6 1.0 CZ3 B:TRP136 4.7 10.5 1.0 CB B:GLU238 4.8 11.0 1.0 O B:ASP139 4.9 13.7 1.0

Iron binding site 5 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe306 b:36.5 occ:1.00 O C:HOH443 2.2 16.3 1.0 OE2 C:GLU238 2.3 15.7 1.0 OE1 C:GLU107 2.3 25.2 1.0 NE2 C:HIS24 2.4 14.1 1.0 NE2 C:HIS234 2.4 15.9 1.0 CD C:GLU238 2.9 14.3 1.0 OE2 C:GLU107 3.0 18.9 1.0 CD C:GLU107 3.0 18.8 1.0 FE C:FE307 3.0 31.6 1.0 OE1 C:GLU238 3.0 15.0 1.0 CE1 C:HIS234 3.1 16.9 1.0 CE1 C:HIS24 3.3 10.3 1.0 CD2 C:HIS24 3.4 11.4 1.0 CD2 C:HIS234 3.5 10.7 1.0 O C:HOH319 3.9 26.1 1.0 ND1 C:HIS234 4.3 19.9 1.0 CG C:GLU238 4.3 16.1 1.0 CG1 C:VAL20 4.4 16.4 1.0 ND1 C:HIS24 4.4 13.1 1.0 CG C:GLU107 4.4 14.7 1.0 CG C:HIS24 4.5 13.2 1.0 CG C:HIS234 4.5 15.6 1.0 NE2 C:HIS143 4.6 13.0 1.0 CB C:GLU107 5.0 15.0 1.0

Iron binding site 6 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe307 b:31.6 occ:1.00 OE2 C:GLU107 2.2 18.9 1.0 OE1 C:GLU238 2.2 15.0 1.0 NE2 C:HIS143 2.3 13.0 1.0 OD2 C:ASP139 2.3 25.0 1.0 O C:HOH443 2.5 16.3 1.0 O C:HOH319 2.6 26.1 1.0 CE1 C:HIS143 2.9 13.2 1.0 OD1 C:ASP139 3.0 24.8 1.0 CG C:ASP139 3.0 22.5 1.0 FE C:FE306 3.0 36.5 1.0 CD C:GLU107 3.2 18.8 1.0 CD C:GLU238 3.3 14.3 1.0 CD2 C:HIS143 3.4 13.6 1.0 OE2 C:GLU238 3.7 15.7 1.0 OE1 C:GLU107 3.7 25.2 1.0 ND1 C:HIS143 4.1 16.0 1.0 O C:HOH444 4.3 16.9 1.0 CG C:HIS143 4.3 14.4 1.0 CB C:ASP139 4.5 18.6 1.0 CG C:GLU107 4.5 14.7 1.0 NE2 C:HIS234 4.5 15.9 1.0 CG C:GLU238 4.5 16.1 1.0 CB C:GLU238 4.7 15.1 1.0 CZ3 C:TRP136 4.8 15.2 1.0 O C:ASP139 4.9 14.7 1.0 CD2 C:HIS234 4.9 10.7 1.0

Iron binding site 7 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe306 b:35.0 occ:1.00 OE1 D:GLU107 2.2 21.3 1.0 O D:HOH428 2.2 15.9 1.0 NE2 D:HIS24 2.3 13.5 1.0 OE2 D:GLU238 2.4 18.4 1.0 NE2 D:HIS234 2.4 10.1 1.0 OE1 D:GLU238 3.0 14.2 1.0 CD D:GLU238 3.0 16.9 1.0 FE D:FE307 3.1 37.0 1.0 CE1 D:HIS234 3.1 8.1 1.0 CD D:GLU107 3.1 18.5 1.0 CE1 D:HIS24 3.3 12.0 1.0 CD2 D:HIS24 3.3 12.0 1.0 OE2 D:GLU107 3.4 17.4 1.0 CD2 D:HIS234 3.6 8.4 1.0 O D:HOH429 4.0 13.8 1.0 CG1 D:VAL20 4.2 10.9 1.0 ND1 D:HIS234 4.3 11.5 1.0 CG D:GLU238 4.4 14.9 1.0 ND1 D:HIS24 4.4 13.8 1.0 CG D:HIS24 4.5 11.6 1.0 CG D:GLU107 4.5 13.0 1.0 CG D:HIS234 4.6 11.9 1.0 NE2 D:HIS143 4.7 13.7 1.0 CB D:GLU107 4.9 14.9 1.0

Iron binding site 8 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


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 Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe307 b:37.0 occ:1.00 OE2 D:GLU107 2.1 17.4 1.0 OE1 D:GLU238 2.2 14.2 1.0 OD1 D:ASP139 2.3 23.7 1.0 NE2 D:HIS143 2.3 13.7 1.0 O D:HOH429 2.6 13.8 1.0 O D:HOH428 2.6 15.9 1.0 CE1 D:HIS143 3.0 14.9 1.0 FE D:FE306 3.1 35.0 1.0 CD D:GLU107 3.1 18.5 1.0 CG D:ASP139 3.1 20.6 1.0 OD2 D:ASP139 3.3 23.9 1.0 CD D:GLU238 3.3 16.9 1.0 CD2 D:HIS143 3.4 13.5 1.0 OE1 D:GLU107 3.4 21.3 1.0 OE2 D:GLU238 3.8 18.4 1.0 O D:HOH430 4.1 13.6 1.0 ND1 D:HIS143 4.1 15.8 1.0 CG D:HIS143 4.4 14.3 1.0 CG D:GLU107 4.4 13.0 1.0 NE2 D:HIS234 4.5 10.1 1.0 CB D:ASP139 4.6 17.9 1.0 CG D:GLU238 4.6 14.9 1.0 CB D:GLU238 4.8 12.8 1.0 O D:ASP139 4.8 14.5 1.0 CZ3 D:TRP136 4.9 14.4 1.0 CD2 D:HIS234 5.0 8.4 1.0

Iron binding site 9 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe306 b:36.5 occ:1.00 O E:HOH418 2.1 20.8 1.0 OE1 E:GLU107 2.2 26.0 1.0 OE2 E:GLU238 2.2 18.7 1.0 NE2 E:HIS24 2.3 13.3 1.0 NE2 E:HIS234 2.4 14.9 1.0 CD E:GLU238 2.9 18.9 1.0 OE1 E:GLU238 3.1 17.9 1.0 CE1 E:HIS234 3.1 15.5 1.0 CD E:GLU107 3.1 19.9 1.0 FE E:FE307 3.1 42.7 1.0 CE1 E:HIS24 3.2 10.2 1.0 OE2 E:GLU107 3.2 24.2 1.0 CD2 E:HIS24 3.3 12.9 1.0 CD2 E:HIS234 3.6 12.1 1.0 O E:HOH419 3.8 21.9 1.0 CG1 E:VAL20 4.2 17.5 1.0 ND1 E:HIS234 4.3 14.6 1.0 CG E:GLU238 4.3 18.6 1.0 ND1 E:HIS24 4.3 12.5 1.0 CG E:HIS24 4.4 14.4 1.0 CG E:GLU107 4.5 18.4 1.0 CG E:HIS234 4.6 15.2 1.0 NE2 E:HIS143 4.6 15.2 1.0 CB E:GLU107 4.9 18.7 1.0

Iron binding site 10 out of 40 in the Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 (Csap Target) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe307 b:42.7 occ:1.00 OE2 E:GLU107 2.1 24.2 1.0 OE1 E:GLU238 2.1 17.9 1.0 NE2 E:HIS143 2.3 15.2 1.0 OD2 E:ASP139 2.3 24.6 1.0 O E:HOH418 2.3 20.8 1.0 O E:HOH419 2.6 21.9 1.0 CE1 E:HIS143 2.9 12.1 1.0 FE E:FE306 3.1 36.5 1.0 CG E:ASP139 3.1 20.4 1.0 CD E:GLU107 3.1 19.9 1.0 CD E:GLU238 3.2 18.9 1.0 OD1 E:ASP139 3.3 24.2 1.0 CD2 E:HIS143 3.4 13.7 1.0 OE1 E:GLU107 3.5 26.0 1.0 OE2 E:GLU238 3.6 18.7 1.0 ND1 E:HIS143 4.1 9.3 1.0 O E:HOH420 4.3 18.3 1.0 CG E:HIS143 4.3 14.6 1.0 CG E:GLU107 4.4 18.4 1.0 CG E:GLU238 4.5 18.6 1.0 CB E:ASP139 4.5 18.2 1.0 NE2 E:HIS234 4.5 14.9 1.0 CB E:GLU238 4.7 16.1 1.0 CZ3 E:TRP136 4.8 14.2 1.0 O E:ASP139 4.8 15.3 1.0

U.A.Ramagopal, J.B.Bonanno, S.Ozyurt, J.Freeman, S.Wasserman, S.Hu, C.Groshong, L.Rodgers, S.K.Burley, S.C.Almo. Crystal Structure of Uncharacterized Protein From Bacillus Cereus G9241 To Be Published.