Iron in PDB 1tv8: Structure of Moaa in Complex with S-Adenosylmethionine

The structure of Structure of Moaa in Complex with S-Adenosylmethionine, PDB code: 1tv8 was solved by P.Haenzelmann, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.35 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.982, 103.305, 189.925, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.1

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

Binding sites:

The binding sites of Iron atom in the Structure of Moaa in Complex with S-Adenosylmethionine (pdb code 1tv8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Structure of Moaa in Complex with S-Adenosylmethionine, PDB code: 1tv8:
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 Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:36.3 occ:1.00 FE1 A:SF41401 0.0 36.3 1.0 S2 A:SF41401 2.3 37.0 1.0 S4 A:SF41401 2.3 37.5 1.0 S3 A:SF41401 2.3 36.1 1.0 SG A:CYS24 2.3 34.4 1.0 FE2 A:SF41401 2.7 37.2 1.0 FE3 A:SF41401 2.7 36.2 1.0 FE4 A:SF41401 2.7 37.1 1.0 CB A:CYS24 3.5 33.4 1.0 N A:SAM1501 3.8 54.1 1.0 S1 A:SF41401 3.9 36.8 1.0 SD A:MET32 4.1 41.8 1.0 CB A:PHE26 4.2 36.9 1.0 O A:PHE26 4.4 36.0 1.0 SG A:CYS28 4.6 40.4 1.0 O A:SAM1501 4.6 54.3 1.0 C A:PHE26 4.6 37.2 1.0 N A:PHE26 4.7 35.9 1.0 CA A:CYS24 4.8 34.5 1.0 CA A:PHE26 4.8 36.8 1.0 SG A:CYS31 4.8 43.9 1.0 ND2 A:ASN104 4.9 32.2 1.0 CG A:MET32 4.9 43.9 1.0 C A:GLY75 5.0 34.9 1.0

Iron binding site 2 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:37.2 occ:1.00 FE2 A:SF41401 0.0 37.2 1.0 S1 A:SF41401 2.2 36.8 1.0 S3 A:SF41401 2.3 36.1 1.0 S4 A:SF41401 2.3 37.5 1.0 SG A:CYS31 2.4 43.9 1.0 FE3 A:SF41401 2.6 36.2 1.0 FE1 A:SF41401 2.7 36.3 1.0 FE4 A:SF41401 2.7 37.1 1.0 CB A:CYS31 3.2 45.0 1.0 S2 A:SF41401 3.8 37.0 1.0 SD A:SAM1501 4.1 65.4 1.0 CE A:SAM1501 4.2 69.9 1.0 CG A:MET32 4.4 43.9 1.0 O A:SAM1501 4.4 54.3 1.0 SD A:MET32 4.5 41.8 1.0 CA A:CYS31 4.5 44.8 1.0 N A:MET32 4.6 44.3 1.0 N A:SAM1501 4.6 54.1 1.0 SG A:CYS28 4.6 40.4 1.0 CB A:CYS28 4.6 41.8 1.0 C A:CYS31 4.7 44.2 1.0 CB A:MET32 4.9 43.6 1.0 SG A:CYS24 5.0 34.4 1.0

Iron binding site 3 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:36.2 occ:1.00 FE3 A:SF41401 0.0 36.2 1.0 SG A:CYS28 2.2 40.4 1.0 S4 A:SF41401 2.3 37.5 1.0 S2 A:SF41401 2.3 37.0 1.0 S1 A:SF41401 2.3 36.8 1.0 FE2 A:SF41401 2.6 37.2 1.0 FE1 A:SF41401 2.7 36.3 1.0 FE4 A:SF41401 2.9 37.1 1.0 CB A:CYS28 3.1 41.8 1.0 S3 A:SF41401 3.9 36.1 1.0 N A:CYS28 4.0 42.1 1.0 CB A:PHE26 4.1 36.9 1.0 O A:SAM1501 4.2 54.3 1.0 CA A:CYS28 4.2 42.7 1.0 CD1 A:PHE26 4.4 39.8 1.0 O3 A:SO41403 4.4 76.1 1.0 O2 A:SO41403 4.5 72.4 1.0 CB A:CYS31 4.5 45.0 1.0 SG A:CYS31 4.7 43.9 1.0 SG A:CYS24 4.7 34.4 1.0 CG A:PHE26 4.8 38.1 1.0

Iron binding site 4 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:37.1 occ:1.00 FE4 A:SF41401 0.0 37.1 1.0 O A:SAM1501 2.0 54.3 1.0 N A:SAM1501 2.3 54.1 1.0 S2 A:SF41401 2.3 37.0 1.0 S3 A:SF41401 2.3 36.1 1.0 S1 A:SF41401 2.3 36.8 1.0 FE2 A:SF41401 2.7 37.2 1.0 FE1 A:SF41401 2.7 36.3 1.0 C A:SAM1501 2.9 56.2 1.0 FE3 A:SF41401 2.9 36.2 1.0 CA A:SAM1501 3.1 57.1 1.0 SD A:SAM1501 3.2 65.4 1.0 CG A:SAM1501 3.9 62.4 1.0 S4 A:SF41401 4.0 37.5 1.0 CB A:SAM1501 4.0 57.2 1.0 OXT A:SAM1501 4.1 54.9 1.0 CE A:SAM1501 4.4 69.9 1.0 SG A:CYS24 4.6 34.4 1.0 C3' A:SAM1501 4.6 75.9 1.0 O A:GLY75 4.7 34.6 1.0 C5' A:SAM1501 4.7 73.3 1.0 SG A:CYS31 4.9 43.9 1.0 SG A:CYS28 4.9 40.4 1.0 O2 A:SO41403 5.0 72.4 1.0

Iron binding site 5 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1402 b:35.2 occ:1.00 FE1 A:SF41402 0.0 35.2 1.0 S2 A:SF41402 2.2 38.1 1.0 SG A:CYS261 2.3 36.0 1.0 S4 A:SF41402 2.3 35.9 1.0 S3 A:SF41402 2.3 38.3 1.0 FE4 A:SF41402 2.6 44.5 1.0 FE3 A:SF41402 2.6 36.5 1.0 FE2 A:SF41402 2.8 38.1 1.0 CB A:CYS261 3.3 39.3 1.0 CA A:CYS261 3.7 40.0 1.0 S1 A:SF41402 3.9 38.6 1.0 O A:HOH1548 4.0 80.5 1.0 N A:SER317 4.3 33.4 1.0 N A:TYR316 4.3 36.3 1.0 N A:CYS261 4.3 42.4 1.0 CA A:ARG315 4.4 36.2 1.0 CB A:SER317 4.4 34.1 1.0 C A:ARG315 4.5 36.2 1.0 OG A:SER317 4.5 36.9 1.0 S4 A:DTU1502 4.6 77.2 1.0 CB A:CYS264 4.6 37.3 1.0 SG A:CYS264 4.7 34.7 1.0 SG A:CYS278 4.7 38.5 1.0 C4 A:DTU1502 4.9 79.9 1.0 C A:CYS261 4.9 39.3 1.0 CA A:SER317 5.0 34.3 1.0

Iron binding site 6 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1402 b:38.1 occ:1.00 FE2 A:SF41402 0.0 38.1 1.0 SG A:CYS278 2.2 38.5 1.0 S1 A:SF41402 2.3 38.6 1.0 S4 A:SF41402 2.3 35.9 1.0 S3 A:SF41402 2.3 38.3 1.0 FE4 A:SF41402 2.7 44.5 1.0 FE3 A:SF41402 2.7 36.5 1.0 FE1 A:SF41402 2.8 35.2 1.0 CB A:CYS278 3.3 40.1 1.0 CA A:CYS278 3.6 40.1 1.0 N A:LEU279 3.9 45.5 1.0 S2 A:SF41402 4.0 38.1 1.0 C A:CYS278 4.3 42.5 1.0 S4 A:DTU1502 4.4 77.2 1.0 N A:TYR316 4.4 36.3 1.0 CB A:TYR316 4.5 36.4 1.0 O A:GLY277 4.7 35.9 1.0 CD1 A:PHE280 4.8 57.1 1.0 SG A:CYS264 4.8 34.7 1.0 SG A:CYS261 4.8 36.0 1.0 N A:CYS278 4.9 37.6 1.0 N A:PHE280 4.9 50.4 1.0 CB A:ASP314 5.0 39.2 1.0

Iron binding site 7 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1402 b:36.5 occ:1.00 FE3 A:SF41402 0.0 36.5 1.0 S4 A:SF41402 2.2 35.9 1.0 S1 A:SF41402 2.3 38.6 1.0 SG A:CYS264 2.3 34.7 1.0 S2 A:SF41402 2.3 38.1 1.0 FE1 A:SF41402 2.6 35.2 1.0 FE4 A:SF41402 2.7 44.5 1.0 FE2 A:SF41402 2.7 38.1 1.0 CB A:CYS264 3.1 37.3 1.0 S3 A:SF41402 3.9 38.3 1.0 NH2 A:ARG312 4.0 34.5 1.0 O A:HOH1565 4.4 72.1 1.0 CA A:CYS264 4.5 37.6 1.0 S4 A:DTU1502 4.7 77.2 1.0 SG A:CYS261 4.7 36.0 1.0 SG A:CYS278 4.8 38.5 1.0 CA A:CYS261 4.8 40.0 1.0 C4 A:DTU1502 4.9 79.9 1.0 CB A:CYS261 5.0 39.3 1.0

Iron binding site 8 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1402 b:44.5 occ:1.00 FE4 A:SF41402 0.0 44.5 1.0 S4 A:DTU1502 2.2 77.2 1.0 S3 A:SF41402 2.2 38.3 1.0 S2 A:SF41402 2.3 38.1 1.0 S1 A:SF41402 2.3 38.6 1.0 FE1 A:SF41402 2.6 35.2 1.0 FE3 A:SF41402 2.7 36.5 1.0 FE2 A:SF41402 2.7 38.1 1.0 C4 A:DTU1502 2.9 79.9 1.0 S4 A:SF41402 3.8 35.9 1.0 O A:HOH1548 4.2 80.5 1.0 C3 A:DTU1502 4.2 83.9 1.0 OG A:SER317 4.3 36.9 1.0 SG A:CYS278 4.6 38.5 1.0 SG A:CYS261 4.6 36.0 1.0 O2 A:DTU1502 4.7 88.8 1.0 SG A:CYS264 4.7 34.7 1.0 CE1 A:PHE280 5.0 59.4 1.0 CG A:LEU279 5.0 53.9 1.0 CB A:SER317 5.0 34.1 1.0

Iron binding site 9 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2401 b:43.5 occ:1.00 FE1 B:SF42401 0.0 43.5 1.0 SG B:CYS24 2.2 38.0 1.0 S4 B:SF42401 2.3 44.8 1.0 S3 B:SF42401 2.3 41.9 1.0 S2 B:SF42401 2.3 37.5 1.0 FE2 B:SF42401 2.5 39.1 1.0 FE3 B:SF42401 2.8 44.0 1.0 FE4 B:SF42401 2.8 42.8 1.0 CB B:CYS24 3.4 36.8 1.0 O B:PHE26 3.8 49.0 1.0 S1 B:SF42401 3.9 43.2 1.0 N B:SAM2501 3.9 67.5 1.0 SD B:MET32 4.0 46.4 1.0 CB B:PHE26 4.0 43.1 1.0 C B:PHE26 4.3 45.6 1.0 CG B:MET32 4.6 46.2 1.0 CA B:PHE26 4.6 43.3 1.0 N B:PHE26 4.6 41.6 1.0 SG B:CYS28 4.8 46.0 1.0 CA B:CYS24 4.8 36.6 1.0 SG B:CYS31 4.9 51.9 1.0 OXT B:SAM2501 4.9 69.1 1.0 CG B:PHE26 5.0 42.0 1.0 ND2 B:ASN104 5.0 32.1 1.0

Iron binding site 10 out of 16 in the Structure of Moaa in Complex with S-Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Moaa in Complex with S-Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2401 b:39.1 occ:1.00 FE2 B:SF42401 0.0 39.1 1.0 S3 B:SF42401 2.3 41.9 1.0 S4 B:SF42401 2.3 44.8 1.0 S1 B:SF42401 2.4 43.2 1.0 FE3 B:SF42401 2.5 44.0 1.0 FE1 B:SF42401 2.5 43.5 1.0 SG B:CYS31 2.5 51.9 1.0 FE4 B:SF42401 2.8 42.8 1.0 CB B:CYS31 3.2 47.3 1.0 S2 B:SF42401 3.7 37.5 1.0 CG B:MET32 4.0 46.2 1.0 CE B:SAM2501 4.3 73.2 1.0 SD B:SAM2501 4.4 75.8 1.0 SD B:MET32 4.4 46.4 1.0 O B:HOH2529 4.5 72.3 1.0 N B:MET32 4.5 46.5 1.0 CA B:CYS31 4.5 48.2 1.0 CB B:CYS28 4.6 45.7 1.0 N B:SAM2501 4.6 67.5 1.0 SG B:CYS24 4.7 38.0 1.0 SG B:CYS28 4.7 46.0 1.0 OXT B:SAM2501 4.7 69.1 1.0 C B:CYS31 4.7 47.1 1.0 CB B:MET32 4.8 46.0 1.0

P.Hanzelmann, H.Schindelin. Crystal Structure of the S-Adenosylmethionine-Dependent Enzyme Moaa and Its Implications For Molybdenum Cofactor Deficiency in Humans. Proc.Natl.Acad.Sci.Usa V. 101 12870 2004.
ISSN: ISSN 0027-8424
PubMed: 15317939
DOI: 10.1073/PNAS.0404624101