Iron in PDB 9c19: Structure of Human Lias

The structure of Structure of Human Lias, PDB code: 9c19 was solved by O.A.Esakova, D.M.Warui, S.S.Neti, J.N.Alumasa, S.J.Booker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.28 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.26, 171.377, 196.381, 90, 90, 90
R / Rfree (%)	20 / 24

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Iron atom in the Structure of Human Lias (pdb code 9c19). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 21 binding sites of Iron where determined in the Structure of Human Lias, PDB code: 9c19:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:73.5 occ:1.00 FE1 C:SF4401 0.0 73.5 1.0 SG C:CYS141 2.3 71.0 1.0 S4 C:SF4401 2.3 72.0 1.0 S3 C:SF4401 2.3 70.1 1.0 S2 C:SF4401 2.3 77.6 1.0 FE3 C:SF4401 2.7 69.6 1.0 FE4 C:SF4401 2.7 78.0 1.0 FE2 C:SF4401 2.7 67.3 1.0 CB C:CYS141 2.9 75.9 1.0 S1 C:SF4401 3.9 89.9 1.0 N C:CYS141 3.9 73.6 1.0 CA C:CYS141 4.0 73.0 1.0 OXT C:SAM403 4.2 56.5 1.0 CB C:CYS144 4.4 77.5 1.0 CB C:ARG139 4.7 58.7 1.0 SG C:CYS144 4.7 76.8 1.0 SG C:CYS137 4.7 77.7 1.0 CE1 C:PHE143 4.9 78.5 1.0 CZ C:PHE143 4.9 65.0 1.0 O C:ARG139 5.0 75.6 1.0

Iron binding site 2 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:67.3 occ:1.00 FE2 C:SF4401 0.0 67.3 1.0 S1 C:SF4401 2.3 89.9 1.0 S3 C:SF4401 2.3 70.1 1.0 S4 C:SF4401 2.3 72.0 1.0 OXT C:SAM403 2.6 56.5 1.0 FE4 C:SF4401 2.7 78.0 1.0 FE3 C:SF4401 2.7 69.6 1.0 FE1 C:SF4401 2.7 73.5 1.0 N C:SAM403 2.9 67.0 1.0 C C:SAM403 3.2 59.4 1.0 CA C:SAM403 3.5 67.4 1.0 CE C:SAM403 3.6 80.4 1.0 SD C:SAM403 3.7 109.2 1.0 CG C:SAM403 3.8 64.8 1.0 S2 C:SF4401 3.9 77.6 1.0 OD1 C:ASP181 4.1 77.6 1.0 O C:SAM403 4.2 55.9 1.0 CB C:SAM403 4.2 62.3 1.0 SG C:CYS137 4.6 77.7 1.0 SG C:CYS144 4.6 76.8 1.0 CG C:ASP181 4.7 72.5 1.0 SG C:CYS141 4.8 71.0 1.0

Iron binding site 3 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:69.6 occ:1.00 FE3 C:SF4401 0.0 69.6 1.0 SG C:CYS144 2.3 76.8 1.0 S4 C:SF4401 2.3 72.0 1.0 S2 C:SF4401 2.3 77.6 1.0 S1 C:SF4401 2.3 89.9 1.0 FE1 C:SF4401 2.7 73.5 1.0 FE2 C:SF4401 2.7 67.3 1.0 FE4 C:SF4401 2.7 78.0 1.0 CB C:CYS144 2.9 77.5 1.0 CE C:SAM403 3.8 80.4 1.0 S3 C:SF4401 3.9 70.1 1.0 CB C:VAL146 4.1 80.2 1.0 CA C:CYS144 4.3 83.8 1.0 CG2 C:VAL146 4.5 86.0 1.0 CB C:CYS141 4.5 75.9 1.0 SG C:CYS141 4.7 71.0 1.0 C C:CYS144 4.8 89.2 1.0 SD C:SAM403 4.9 109.2 1.0 N C:VAL146 4.9 93.2 1.0 SG C:CYS137 4.9 77.7 1.0 CG1 C:VAL146 4.9 83.8 1.0 CB C:CYS137 5.0 68.3 1.0

Iron binding site 4 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:78.0 occ:1.00 FE4 C:SF4401 0.0 78.0 1.0 SG C:CYS137 2.3 77.7 1.0 S1 C:SF4401 2.3 89.9 1.0 S3 C:SF4401 2.3 70.1 1.0 S2 C:SF4401 2.3 77.6 1.0 FE2 C:SF4401 2.7 67.3 1.0 FE1 C:SF4401 2.7 73.5 1.0 FE3 C:SF4401 2.7 69.6 1.0 CB C:CYS137 3.0 68.3 1.0 O C:ARG139 3.8 75.6 1.0 S4 C:SF4401 3.9 72.0 1.0 CB C:ARG139 4.3 58.7 1.0 C C:ARG139 4.4 59.5 1.0 CA C:CYS137 4.5 67.1 1.0 N C:ASP181 4.6 76.2 1.0 N C:ARG139 4.6 65.2 1.0 OD1 C:ASP181 4.7 77.6 1.0 CA C:ARG139 4.7 61.8 1.0 N C:SAM403 4.7 67.0 1.0 CG C:ASP181 4.7 72.5 1.0 SG C:CYS141 4.8 71.0 1.0 CB C:ASP181 4.9 74.0 1.0 SG C:CYS144 4.9 76.8 1.0

Iron binding site 5 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:85.5 occ:1.00 FE1 C:F3S402 0.0 85.5 1.0 SG C:CYS117 2.3 92.3 1.0 S2 C:F3S402 2.3 65.2 1.0 S1 C:F3S402 2.3 61.4 1.0 S3 C:F3S402 2.3 101.3 1.0 FE4 C:F3S402 2.7 89.6 1.0 FE3 C:F3S402 2.7 77.2 1.0 CB C:CYS117 3.0 105.5 1.0 O C:ASN113 3.9 109.7 1.0 S6 F:YVI201 4.3 108.8 1.0 CB C:ASN113 4.4 100.5 1.0 CA C:CYS117 4.4 106.2 1.0 C C:ASN113 4.6 120.9 1.0 SG C:CYS106 4.7 86.6 1.0 SG C:CYS111 4.7 105.2 1.0 N C:CYS117 4.9 106.1 1.0 OG C:SER352 4.9 80.3 1.0 CA C:TYR353 5.0 86.4 1.0 CD1 C:TYR353 5.0 81.9 1.0

Iron binding site 6 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:77.2 occ:1.00 FE3 C:F3S402 0.0 77.2 1.0 SG C:CYS111 2.3 105.2 1.0 S3 C:F3S402 2.3 101.3 1.0 S1 C:F3S402 2.3 61.4 1.0 S6 F:YVI201 2.6 108.8 1.0 FE4 C:F3S402 2.7 89.6 1.0 FE1 C:F3S402 2.7 85.5 1.0 CB C:CYS111 3.2 100.1 1.0 C5 F:YVI201 3.6 70.1 1.0 C6 F:YVI201 3.7 69.9 1.0 S2 C:F3S402 3.9 65.2 1.0 CB C:ASN113 4.1 100.5 1.0 C7 F:YVI201 4.1 69.4 1.0 C4 F:YVI201 4.3 78.0 1.0 CG C:ARG350 4.4 77.4 1.0 C C:ASN113 4.5 120.9 1.0 O C:ASN113 4.6 109.7 1.0 CA C:CYS111 4.6 107.9 1.0 SG C:CYS117 4.7 92.3 1.0 CA C:ASN113 4.7 113.6 1.0 N C:ASN113 4.7 110.2 1.0 ND2 C:ASN113 4.7 96.4 1.0 SG C:CYS106 4.7 86.6 1.0 CB C:ARG350 4.8 79.5 1.0 C3 F:YVI201 4.8 74.7 1.0 CG C:ASN113 4.9 101.5 1.0 N C:ILE114 5.0 120.3 1.0 CB C:CYS106 5.0 98.6 1.0

Iron binding site 7 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:89.6 occ:1.00 FE4 C:F3S402 0.0 89.6 1.0 SG C:CYS106 2.3 86.6 1.0 S3 C:F3S402 2.3 101.3 1.0 S6 F:YVI201 2.3 108.8 1.0 S2 C:F3S402 2.3 65.2 1.0 FE1 C:F3S402 2.7 85.5 1.0 FE3 C:F3S402 2.7 77.2 1.0 CB C:CYS106 3.3 98.6 1.0 OG1 C:THR129 3.4 102.8 1.0 S1 C:F3S402 3.8 61.4 1.0 C6 F:YVI201 3.9 69.9 1.0 CA C:CYS106 4.0 97.1 1.0 C7 F:YVI201 4.2 69.4 1.0 N C:CYS106 4.4 98.0 1.0 CB C:THR129 4.6 89.1 1.0 CG2 C:THR129 4.6 80.0 1.0 SG C:CYS111 4.7 105.2 1.0 CB C:CYS111 4.7 100.1 1.0 CG1 C:VAL105 4.8 85.4 1.0 C5 F:YVI201 4.8 70.1 1.0 OG C:SER352 4.8 80.3 1.0 SG C:CYS117 4.9 92.3 1.0 CB C:CYS117 4.9 105.5 1.0

Iron binding site 8 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:32.6 occ:1.00 FE1 A:SF4401 0.0 32.6 1.0 SG A:CYS141 2.3 34.6 1.0 S3 A:SF4401 2.3 36.7 1.0 S4 A:SF4401 2.3 29.3 1.0 S2 A:SF4401 2.3 36.2 1.0 FE3 A:SF4401 2.7 32.5 1.0 FE4 A:SF4401 2.7 37.3 1.0 FE2 A:SF4401 2.7 41.5 1.0 CB A:CYS141 3.2 26.6 1.0 S1 A:SF4401 3.9 38.5 1.0 O A:HOH510 4.0 28.5 1.0 OXT A:SAM403 4.0 58.4 1.0 CB A:ARG139 4.1 38.8 1.0 N A:CYS141 4.3 34.8 1.0 CA A:CYS141 4.3 37.2 1.0 CB A:CYS144 4.4 31.3 1.0 SG A:CYS144 4.6 30.4 1.0 SG A:CYS137 4.8 33.4 1.0 CZ A:PHE143 4.8 26.5 1.0 CE1 A:PHE143 4.8 37.2 1.0 CG A:ARG139 4.8 36.1 1.0

Iron binding site 9 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:41.5 occ:1.00 FE2 A:SF4401 0.0 41.5 1.0 S3 A:SF4401 2.3 36.7 1.0 S4 A:SF4401 2.3 29.3 1.0 S1 A:SF4401 2.3 38.5 1.0 OXT A:SAM403 2.7 58.4 1.0 FE4 A:SF4401 2.7 37.3 1.0 FE3 A:SF4401 2.7 32.5 1.0 FE1 A:SF4401 2.7 32.6 1.0 N A:SAM403 2.8 39.2 1.0 C A:SAM403 3.3 53.2 1.0 CA A:SAM403 3.5 52.3 1.0 SD A:SAM403 3.7 74.5 1.0 CE A:SAM403 3.7 56.9 1.0 S2 A:SF4401 3.9 36.2 1.0 OD1 A:ASP181 4.1 34.0 1.0 CB A:SAM403 4.2 62.8 1.0 O A:SAM403 4.3 50.9 1.0 CG A:SAM403 4.3 39.2 1.0 SG A:CYS137 4.6 33.4 1.0 CG A:ASP181 4.6 41.5 1.0 SG A:CYS144 4.7 30.4 1.0 SG A:CYS141 4.9 34.6 1.0 OD2 A:ASP181 5.0 43.1 1.0

Iron binding site 10 out of 21 in the Structure of Human Lias


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Human Lias within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:32.5 occ:1.00 FE3 A:SF4401 0.0 32.5 1.0 S4 A:SF4401 2.3 29.3 1.0 S1 A:SF4401 2.3 38.5 1.0 S2 A:SF4401 2.3 36.2 1.0 SG A:CYS144 2.3 30.4 1.0 FE1 A:SF4401 2.7 32.6 1.0 FE2 A:SF4401 2.7 41.5 1.0 FE4 A:SF4401 2.7 37.3 1.0 CB A:CYS144 3.0 31.3 1.0 S3 A:SF4401 3.9 36.7 1.0 CB A:VAL146 4.1 25.3 1.0 CG2 A:VAL146 4.3 21.8 1.0 CE A:SAM403 4.4 56.9 1.0 CA A:CYS144 4.5 25.9 1.0 CB A:CYS141 4.7 26.6 1.0 SG A:CYS141 4.7 34.6 1.0 SD A:SAM403 4.7 74.5 1.0 O A:HOH503 4.8 17.6 1.0 CG1 A:VAL146 4.9 24.5 1.0 SG A:CYS137 4.9 33.4 1.0 C A:CYS144 5.0 30.3 1.0

O.A.Esakova, D.M.Warui, S.S.Neti, J.N.Alumasa, S.J.Booker. Structural Basis For the Mechanism of the Human Lipoyl Synthase (Lias) and Its Complex with the H-Protein To Be Published.