Iron in PDB 5oay: M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1

The binding sites of Iron atom in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1 (pdb code 5oay). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1, PDB code: 5oay:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:10.8 occ:1.00 FE1 A:SF4101 0.0 10.8 1.0 S4 A:SF4101 2.3 9.5 1.0 SG A:CYS40 2.3 1.9 1.0 S3 A:SF4101 2.3 9.7 1.0 S2 A:SF4101 2.3 10.9 1.0 FE2 A:SF4101 2.7 10.5 1.0 FE4 A:SF4101 2.7 11.0 1.0 FE3 A:SF4101 2.7 10.2 1.0 HB3 A:CYS40 3.2 2.4 1.0 O A:HIS5 3.3 4.1 1.0 CB A:CYS40 3.4 2.3 1.0 O A:PRO41 3.7 4.4 1.0 O A:CYS37 3.7 3.5 1.0 HB A:VAL8 3.8 5.0 1.0 S1 A:SF4101 3.8 10.5 1.0 HB2 A:CYS40 4.1 3.0 1.0 HB3 A:HIS5 4.2 4.5 1.0 HA A:CYS37 4.2 3.0 1.0 HA2 A:GLY61 4.3 3.6 1.0 H A:GLY62 4.3 2.5 1.0 C A:HIS5 4.3 4.8 1.0 HA A:HIS5 4.4 5.4 1.0 HA3 A:GLY61 4.4 3.0 1.0 C A:CYS40 4.4 2.6 1.0 HA A:CYS9 4.4 2.3 1.0 O A:CYS40 4.4 2.8 1.0 CA A:CYS40 4.5 2.3 1.0 SG A:CYS9 4.7 1.4 1.0 SG A:CYS37 4.7 2.7 1.0 H A:CYS9 4.7 3.8 1.0 C A:CYS37 4.7 3.0 1.0 SG A:CYS46 4.7 2.2 1.0 C A:PRO41 4.7 3.7 1.0 N A:CYS9 4.8 3.5 1.0 CA A:HIS5 4.8 5.4 1.0 H A:CYS40 4.8 2.3 1.0 CA A:GLY61 4.8 3.0 1.0 HA A:VAL42 4.9 3.7 1.0 HG23 A:THR43 4.9 5.0 1.0 CB A:VAL8 4.9 5.5 1.0 N A:PRO41 4.9 3.0 1.0 CA A:CYS37 4.9 2.8 1.0 HD2 A:PRO41 4.9 3.2 1.0 HA A:LYS6 4.9 4.3 1.0 CB A:HIS5 5.0 5.1 1.0

Iron binding site 2 out of 4 in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:10.5 occ:1.00 FE2 A:SF4101 0.0 10.5 1.0 S3 A:SF4101 2.3 9.7 1.0 SG A:CYS46 2.3 2.2 1.0 S4 A:SF4101 2.3 9.5 1.0 S1 A:SF4101 2.3 10.5 1.0 H A:GLY62 2.4 2.5 1.0 FE3 A:SF4101 2.7 10.2 1.0 FE1 A:SF4101 2.7 10.8 1.0 FE4 A:SF4101 2.8 11.0 1.0 HA2 A:GLY61 3.0 3.6 1.0 N A:GLY62 3.3 2.0 1.0 HB2 A:CYS46 3.3 2.7 1.0 CB A:CYS46 3.4 2.4 1.0 CA A:GLY61 3.8 3.0 1.0 HA3 A:GLY61 3.8 3.0 1.0 S2 A:SF4101 3.8 10.9 1.0 HA A:CYS46 3.8 2.7 1.0 HA3 A:GLY62 3.9 1.7 1.0 C A:GLY61 4.0 2.3 1.0 CA A:CYS46 4.2 2.3 1.0 HA A:VAL42 4.2 3.7 1.0 CA A:GLY62 4.2 1.7 1.0 O A:PRO41 4.3 4.4 1.0 HB3 A:CYS46 4.3 3.0 1.0 H A:THR43 4.3 3.3 1.0 O A:CYS37 4.5 3.5 1.0 OG1 A:THR43 4.5 3.7 1.0 SG A:CYS9 4.6 1.4 1.0 H A:CYS46 4.6 2.4 1.0 N A:CYS46 4.7 2.3 1.0 HG1 A:THR43 4.7 3.9 1.0 SG A:CYS40 4.7 1.9 1.0 SG A:CYS37 4.8 2.7 1.0 HA2 A:GLY62 4.9 2.1 1.0

Iron binding site 3 out of 4 in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:10.2 occ:1.00 FE3 A:SF4101 0.0 10.2 1.0 SG A:CYS9 2.1 1.4 1.0 S2 A:SF4101 2.2 10.9 1.0 S4 A:SF4101 2.3 9.5 1.0 S1 A:SF4101 2.3 10.5 1.0 FE2 A:SF4101 2.7 10.5 1.0 FE1 A:SF4101 2.7 10.8 1.0 FE4 A:SF4101 2.8 11.0 1.0 HA A:CYS9 2.9 2.3 1.0 CB A:CYS9 3.3 2.5 1.0 O A:HIS5 3.4 4.1 1.0 CA A:CYS9 3.5 2.6 1.0 HA A:LYS6 3.6 4.3 1.0 HB2 A:CYS9 3.8 3.0 1.0 S3 A:SF4101 3.9 9.7 1.0 N A:CYS9 4.0 3.5 1.0 H A:CYS9 4.0 3.8 1.0 HG1 A:THR43 4.0 3.9 1.0 HB3 A:CYS9 4.1 2.9 1.0 OG1 A:THR43 4.4 3.7 1.0 C A:HIS5 4.4 4.8 1.0 H A:GLY62 4.4 2.5 1.0 HG2 A:LYS6 4.5 5.4 1.0 HB2 A:GLU45 4.6 4.0 1.0 CA A:LYS6 4.6 5.0 1.0 SG A:CYS40 4.7 1.9 1.0 SG A:CYS46 4.8 2.2 1.0 C A:CYS9 4.9 3.0 1.0 HG22 A:THR43 4.9 4.7 1.0 C A:VAL8 4.9 4.2 1.0 SG A:CYS37 4.9 2.7 1.0 N A:LYS6 5.0 5.3 1.0 HB3 A:GLU45 5.0 3.6 1.0 HB2 A:CYS46 5.0 2.7 1.0 HB3 A:HIS5 5.0 4.5 1.0 HB A:VAL8 5.0 5.0 1.0

Iron binding site 4 out of 4 in the M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of M. Tuberculosis [4FE-4S] Protein WHIB1 Is A Four-Helix Bundle That Forms A No-Sensitive Complex with Sigmaa and Regulates the Major Virulence Factor Esx-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:11.0 occ:1.00 FE4 A:SF4101 0.0 11.0 1.0 S3 A:SF4101 2.2 9.7 1.0 S1 A:SF4101 2.2 10.5 1.0 S2 A:SF4101 2.3 10.9 1.0 SG A:CYS37 2.3 2.7 1.0 FE1 A:SF4101 2.7 10.8 1.0 FE2 A:SF4101 2.8 10.5 1.0 FE3 A:SF4101 2.8 10.2 1.0 H A:GLY62 2.9 2.5 1.0 O A:CYS37 3.2 3.5 1.0 HA A:CYS9 3.5 2.3 1.0 CB A:CYS37 3.6 2.9 1.0 HA A:CYS37 3.6 3.0 1.0 HA3 A:GLY61 3.8 3.0 1.0 N A:GLY62 3.8 2.0 1.0 C A:CYS37 3.9 3.0 1.0 CA A:CYS37 3.9 2.8 1.0 S4 A:SF4101 3.9 9.5 1.0 HB2 A:CYS37 3.9 3.0 1.0 O A:GLY62 4.1 2.6 1.0 HA2 A:GLY61 4.3 3.6 1.0 OE2 A:GLU12 4.4 5.7 1.0 CA A:GLY61 4.4 3.0 1.0 HB3 A:CYS37 4.4 3.4 1.0 HB3 A:CYS40 4.5 2.4 1.0 HA3 A:GLY62 4.5 1.7 1.0 SG A:CYS9 4.5 1.4 1.0 CA A:CYS9 4.5 2.6 1.0 C A:GLY61 4.6 2.3 1.0 CA A:GLY62 4.6 1.7 1.0 SG A:CYS46 4.7 2.2 1.0 SG A:CYS40 4.7 1.9 1.0 C A:GLY62 4.8 1.8 1.0 HB A:VAL8 4.8 5.0 1.0 N A:CYS9 4.9 3.5 1.0

B.K.Kudhair, A.M.Hounslow, M.D.Rolfe, J.C.Crack, D.M.Hunt, R.S.Buxton, L.J.Smith, N.E.Le Brun, M.P.Williamson, J.Green. Structure of A Wbl Protein and Implications For No Sensing By M. Tuberculosis. Nat Commun V. 8 2280 2017.
ISSN: ESSN 2041-1723
PubMed: 29273788
DOI: 10.1038/S41467-017-02418-Y