Iron in PDB 6onu: Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.

The structure of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group., PDB code: 6onu was solved by T.Wan, S.R.Li, D.G.Beltran, A.Schacht, D.C.Becker, L.M.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.87 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.803, 144.439, 59.890, 90.00, 106.76, 90.00
R / Rfree (%)	19.4 / 23.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. (pdb code 6onu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group., PDB code: 6onu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:35.2 occ:1.00 FE1 A:SF4101 0.0 35.2 1.0 SG A:CYS9 2.2 34.6 1.0 S3 A:SF4101 2.3 38.0 1.0 S4 A:SF4101 2.3 35.2 1.0 S2 A:SF4101 2.3 36.3 1.0 FE4 A:SF4101 2.7 39.4 1.0 FE3 A:SF4101 2.7 35.5 1.0 FE2 A:SF4101 2.8 34.5 1.0 CB A:CYS9 3.1 32.0 1.0 S1 A:SF4101 3.9 36.7 1.0 CG B:PRO517 4.0 41.7 1.0 N A:CYS9 4.1 31.0 1.0 CA A:CYS9 4.2 29.6 1.0 CE1 B:HIS516 4.3 33.4 1.0 CB A:ALA7 4.5 47.8 1.0 CB B:PRO517 4.6 38.8 1.0 SG A:CYS46 4.7 31.1 1.0 CE2 A:PHE17 4.7 30.9 1.0 SG A:CYS40 4.7 44.8 1.0 CZ A:PHE17 4.8 36.3 1.0 NE2 B:HIS516 4.8 32.4 1.0 SG A:CYS37 4.9 35.5 1.0 CA A:ALA7 4.9 36.6 1.0 N A:VAL8 5.0 48.4 1.0

Iron binding site 2 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:34.5 occ:1.00 FE2 A:SF4101 0.0 34.5 1.0 S3 A:SF4101 2.3 38.0 1.0 S4 A:SF4101 2.3 35.2 1.0 S1 A:SF4101 2.3 36.7 1.0 SG A:CYS37 2.3 35.5 1.0 FE3 A:SF4101 2.7 35.5 1.0 FE1 A:SF4101 2.8 35.2 1.0 FE4 A:SF4101 2.8 39.4 1.0 CB A:CYS37 3.2 36.7 1.0 CA A:CYS37 3.5 36.1 1.0 S2 A:SF4101 3.9 36.3 1.0 N A:CYS37 4.1 35.0 1.0 N A:GLY61 4.2 28.7 1.0 CE2 A:PHE17 4.3 30.9 1.0 SG A:CYS46 4.6 31.1 1.0 N A:GLY62 4.7 37.5 1.0 CA A:GLY61 4.7 28.5 1.0 CB A:CYS40 4.8 37.4 1.0 SG A:CYS9 4.8 34.6 1.0 CD2 A:PHE17 4.8 28.0 1.0 SG A:CYS40 4.8 44.8 1.0 C A:CYS37 4.8 40.9 1.0 C A:VAL36 4.9 37.6 1.0 CZ A:PHE17 5.0 36.3 1.0

Iron binding site 3 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:35.5 occ:1.00 FE3 A:SF4101 0.0 35.5 1.0 SG A:CYS46 2.2 31.1 1.0 S2 A:SF4101 2.3 36.3 1.0 S4 A:SF4101 2.3 35.2 1.0 S1 A:SF4101 2.3 36.7 1.0 FE1 A:SF4101 2.7 35.2 1.0 FE4 A:SF4101 2.7 39.4 1.0 FE2 A:SF4101 2.7 34.5 1.0 CB A:CYS46 2.9 30.6 1.0 N A:GLY61 3.8 28.7 1.0 S3 A:SF4101 3.9 38.0 1.0 CG B:PRO517 4.0 41.7 1.0 CA A:GLY61 4.4 28.5 1.0 CA A:CYS46 4.4 41.1 1.0 SG A:CYS9 4.7 34.6 1.0 CZ3 A:TRP3 4.7 36.4 1.0 SG A:CYS37 4.8 35.5 1.0 C A:TRP60 4.8 45.5 1.0 CA A:TRP60 4.8 33.9 1.0 SG A:CYS40 4.9 44.8 1.0 CB B:PRO517 4.9 38.8 1.0

Iron binding site 4 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:39.4 occ:1.00 FE4 A:SF4101 0.0 39.4 1.0 S2 A:SF4101 2.2 36.3 1.0 S3 A:SF4101 2.3 38.0 1.0 S1 A:SF4101 2.3 36.7 1.0 SG A:CYS40 2.3 44.8 1.0 FE1 A:SF4101 2.7 35.2 1.0 FE3 A:SF4101 2.7 35.5 1.0 FE2 A:SF4101 2.8 34.5 1.0 CB A:CYS40 3.1 37.4 1.0 S4 A:SF4101 3.9 35.2 1.0 CG2 A:VAL42 4.4 44.9 1.0 SG A:CYS9 4.5 34.6 1.0 CA A:CYS40 4.5 42.2 1.0 CA A:CYS37 4.6 36.1 1.0 N A:VAL8 4.6 48.4 1.0 CG1 A:VAL8 4.6 37.2 0.6 CA A:ALA7 4.6 36.6 1.0 CB A:CYS46 4.8 30.6 1.0 SG A:CYS46 4.8 31.1 1.0 N A:THR43 4.8 43.3 1.0 SG A:CYS37 4.9 35.5 1.0 CB A:ALA7 4.9 47.8 1.0 C A:VAL42 4.9 50.8 1.0 CA A:THR43 4.9 35.4 1.0 CB A:CYS37 5.0 36.7 1.0 OG1 A:THR43 5.0 52.8 1.0

Iron binding site 5 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:33.5 occ:1.00 FE1 C:SF4101 0.0 33.5 1.0 SG C:CYS9 2.3 36.0 1.0 S4 C:SF4101 2.3 32.1 1.0 S3 C:SF4101 2.3 34.0 1.0 S2 C:SF4101 2.3 34.5 1.0 FE3 C:SF4101 2.7 31.8 1.0 FE4 C:SF4101 2.7 36.1 1.0 FE2 C:SF4101 2.7 33.9 1.0 CB C:CYS9 3.2 39.3 1.0 S1 C:SF4101 3.9 32.2 1.0 CG D:PRO517 4.0 38.7 1.0 N C:CYS9 4.1 45.5 1.0 CE1 D:HIS516 4.2 36.5 1.0 CA C:CYS9 4.3 42.0 1.0 CB C:ALA7 4.4 41.4 1.0 SG C:CYS40 4.6 38.2 1.0 CB D:PRO517 4.7 40.0 1.0 SG C:CYS46 4.7 29.4 1.0 CE2 C:PHE17 4.8 37.6 1.0 CA C:ALA7 4.8 49.6 1.0 CZ C:PHE17 4.8 38.7 1.0 N C:VAL8 4.8 47.3 1.0 NE2 D:HIS516 4.9 35.7 1.0 SG C:CYS37 4.9 33.4 1.0

Iron binding site 6 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:33.9 occ:1.00 FE2 C:SF4101 0.0 33.9 1.0 S4 C:SF4101 2.3 32.1 1.0 S3 C:SF4101 2.3 34.0 1.0 S1 C:SF4101 2.3 32.2 1.0 SG C:CYS37 2.4 33.4 1.0 FE3 C:SF4101 2.7 31.8 1.0 FE1 C:SF4101 2.7 33.5 1.0 FE4 C:SF4101 2.8 36.1 1.0 CB C:CYS37 3.3 25.8 1.0 CA C:CYS37 3.6 36.3 1.0 S2 C:SF4101 3.9 34.5 1.0 CE2 C:PHE17 4.3 37.6 1.0 N C:CYS37 4.3 37.9 1.0 N C:GLY61 4.3 24.3 1.0 N C:GLY62 4.5 33.5 1.0 CB C:CYS40 4.7 35.8 1.0 SG C:CYS40 4.7 38.2 1.0 SG C:CYS46 4.7 29.4 1.0 CA C:GLY61 4.8 26.9 1.0 SG C:CYS9 4.8 36.0 1.0 CD2 C:PHE17 4.9 32.3 1.0 C C:CYS37 4.9 45.2 1.0 CZ C:PHE17 4.9 38.7 1.0

Iron binding site 7 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:31.8 occ:1.00 FE3 C:SF4101 0.0 31.8 1.0 S2 C:SF4101 2.3 34.5 1.0 SG C:CYS46 2.3 29.4 1.0 S1 C:SF4101 2.3 32.2 1.0 S4 C:SF4101 2.3 32.1 1.0 FE2 C:SF4101 2.7 33.9 1.0 FE1 C:SF4101 2.7 33.5 1.0 FE4 C:SF4101 2.8 36.1 1.0 CB C:CYS46 3.1 36.7 1.0 N C:GLY61 3.7 24.3 1.0 S3 C:SF4101 3.9 34.0 1.0 CG D:PRO517 4.1 38.7 1.0 CA C:GLY61 4.4 26.9 1.0 CA C:CYS46 4.5 31.0 1.0 C C:TRP60 4.7 28.9 1.0 CA C:TRP60 4.7 29.7 1.0 CZ3 C:TRP3 4.7 30.4 1.0 SG C:CYS9 4.8 36.0 1.0 SG C:CYS37 4.8 33.4 1.0 SG C:CYS40 4.8 38.2 1.0

Iron binding site 8 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:36.1 occ:1.00 FE4 C:SF4101 0.0 36.1 1.0 SG C:CYS40 2.2 38.2 1.0 S3 C:SF4101 2.2 34.0 1.0 S2 C:SF4101 2.3 34.5 1.0 S1 C:SF4101 2.3 32.2 1.0 FE1 C:SF4101 2.7 33.5 1.0 FE2 C:SF4101 2.8 33.9 1.0 FE3 C:SF4101 2.8 31.8 1.0 CB C:CYS40 3.1 35.8 1.0 S4 C:SF4101 3.9 32.1 1.0 CG2 C:VAL42 4.4 43.3 1.0 N C:VAL8 4.5 47.3 1.0 CA C:CYS40 4.5 38.5 1.0 CA C:ALA7 4.5 49.6 1.0 SG C:CYS9 4.6 36.0 1.0 CA C:CYS37 4.7 36.3 1.0 CG2 C:THR43 4.7 31.1 0.4 CG2 C:VAL8 4.7 42.7 1.0 CB C:CYS46 4.8 36.7 1.0 C C:VAL42 4.8 39.7 1.0 SG C:CYS46 4.8 29.4 1.0 CB C:ALA7 4.9 41.4 1.0 O C:VAL42 4.9 36.8 1.0 SG C:CYS37 4.9 33.4 1.0 N C:THR43 4.9 34.4 1.0 CA C:THR43 4.9 33.0 0.4 CA C:THR43 4.9 34.6 0.6 C C:ALA7 5.0 43.4 1.0

Iron binding site 9 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe101 b:42.7 occ:1.00 FE1 E:SF4101 0.0 42.7 1.0 S4 E:SF4101 2.3 41.2 1.0 S3 E:SF4101 2.3 41.8 1.0 S2 E:SF4101 2.3 43.0 1.0 SG E:CYS9 2.3 44.9 1.0 FE4 E:SF4101 2.7 43.1 1.0 FE3 E:SF4101 2.7 40.4 1.0 FE2 E:SF4101 2.8 39.8 1.0 CB E:CYS9 3.2 42.0 1.0 CG F:PRO517 3.8 54.4 1.0 S1 E:SF4101 3.9 41.5 1.0 CE1 F:HIS516 4.1 45.5 1.0 N E:CYS9 4.1 53.4 1.0 CA E:CYS9 4.3 50.0 1.0 CB E:ALA7 4.4 60.3 1.0 CB F:PRO517 4.5 47.0 1.0 CE2 E:PHE17 4.5 35.2 1.0 CZ E:PHE17 4.7 49.9 1.0 SG E:CYS46 4.7 38.9 1.0 NE2 F:HIS516 4.7 45.9 1.0 SG E:CYS40 4.8 52.9 1.0 CA E:ALA7 5.0 61.7 1.0 N E:VAL8 5.0 47.2 1.0 SG E:CYS37 5.0 38.9 1.0 ND1 F:HIS516 5.0 44.2 1.0

Iron binding site 10 out of 16 in the Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Complex Structure of WHIB1 and Region 4 of Siga in P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe101 b:39.8 occ:1.00 FE2 E:SF4101 0.0 39.8 1.0 S3 E:SF4101 2.3 41.8 1.0 S4 E:SF4101 2.3 41.2 1.0 S1 E:SF4101 2.3 41.5 1.0 SG E:CYS37 2.4 38.9 1.0 FE3 E:SF4101 2.7 40.4 1.0 FE1 E:SF4101 2.8 42.7 1.0 FE4 E:SF4101 2.8 43.1 1.0 CB E:CYS37 3.3 48.2 1.0 CA E:CYS37 3.5 54.5 1.0 S2 E:SF4101 3.9 43.0 1.0 N E:GLY61 4.1 38.9 1.0 CE2 E:PHE17 4.1 35.2 1.0 N E:CYS37 4.1 39.0 1.0 SG E:CYS46 4.6 38.9 1.0 CA E:GLY61 4.6 37.7 1.0 N E:GLY62 4.7 33.4 1.0 CD2 E:PHE17 4.7 34.9 1.0 CB E:CYS40 4.8 55.7 1.0 CZ E:PHE17 4.8 49.9 1.0 C E:CYS37 4.9 50.7 1.0 SG E:CYS9 4.9 44.9 1.0 SG E:CYS40 4.9 52.9 1.0 C E:TRP60 4.9 41.3 1.0 C E:VAL36 5.0 40.6 1.0

T.Wan, S.R.Li, D.G.Beltran, A.Schacht, D.C.Becker, L.M.Zhang. Crystal Structure of A Redox-Sensing Transcription Regulator To Be Published.