Iron in PDB 2goy: Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps

All present enzymatic activity of Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps:
1.8.4.10;

The structure of Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps, PDB code: 2goy was solved by J.Chartron, K.S.Carroll, C.Shiau, H.Gao, J.A.Leary, C.R.Bertozzi, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.68 / 2.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	60.027, 102.788, 139.374, 90.10, 102.57, 89.95
R / Rfree (%)	23 / 26.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps (pdb code 2goy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps, PDB code: 2goy:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:21.4 occ:1.00 FE1 A:SF4301 0.0 21.4 1.0 S4 A:SF4301 2.3 21.5 1.0 SG A:CYS231 2.3 22.0 1.0 S2 A:SF4301 2.3 21.2 1.0 S3 A:SF4301 2.3 22.3 1.0 FE3 A:SF4301 2.7 24.1 1.0 FE2 A:SF4301 2.7 21.2 1.0 FE4 A:SF4301 2.8 21.1 1.0 CB A:CYS231 3.3 21.6 1.0 S1 A:SF4301 3.9 20.1 1.0 NE1 A:TRP246 4.0 29.6 1.0 CD1 A:PHE131 4.0 27.3 1.0 CG A:PHE131 4.2 29.4 1.0 CE1 A:PHE131 4.2 25.4 1.0 CB A:CYS228 4.4 21.4 1.0 CD2 A:PHE131 4.4 30.1 1.0 CZ A:PHE131 4.5 28.7 1.0 CE2 A:PHE131 4.6 27.7 1.0 CA A:CYS231 4.6 24.4 1.0 SG A:CYS228 4.7 18.1 1.0 CB A:PHE131 4.7 26.6 1.0 CB A:HIS136 4.7 26.3 1.0 N A:CYS231 4.7 24.6 1.0 SG A:CYS139 4.8 23.5 1.0 CD1 A:TRP246 4.8 28.9 1.0 SG A:CYS140 4.8 25.4 1.0 CG A:PRO230 4.9 14.6 1.0

Iron binding site 2 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:21.2 occ:1.00 FE2 A:SF4301 0.0 21.2 1.0 S3 A:SF4301 2.2 22.3 1.0 SG A:CYS139 2.3 23.5 1.0 S1 A:SF4301 2.3 20.1 1.0 S4 A:SF4301 2.3 21.5 1.0 FE3 A:SF4301 2.7 24.1 1.0 FE4 A:SF4301 2.7 21.1 1.0 FE1 A:SF4301 2.7 21.4 1.0 CB A:CYS139 3.3 21.2 1.0 S2 A:SF4301 3.8 21.2 1.0 CD1 A:PHE131 3.8 27.3 1.0 CD A:ARG143 3.9 16.6 1.0 N A:CYS140 4.0 28.7 1.0 CE1 A:PHE131 4.0 25.4 1.0 C A:CYS139 4.2 26.6 1.0 NE A:ARG143 4.3 17.6 1.0 CA A:CYS139 4.3 24.6 1.0 CA A:CYS140 4.6 28.5 1.0 CG A:PHE131 4.7 29.4 1.0 SG A:CYS140 4.7 25.4 1.0 O A:CYS139 4.8 29.5 1.0 CG A:ARG143 4.8 16.2 1.0 SG A:CYS231 4.9 22.0 1.0 SG A:CYS228 4.9 18.1 1.0 O A:HOH302 4.9 5.4 1.0 CB A:ARG143 5.0 18.4 1.0 CZ A:PHE131 5.0 28.7 1.0

Iron binding site 3 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:24.1 occ:1.00 FE3 A:SF4301 0.0 24.1 1.0 S1 A:SF4301 2.2 20.1 1.0 S2 A:SF4301 2.2 21.2 1.0 S4 A:SF4301 2.2 21.5 1.0 SG A:CYS140 2.3 25.4 1.0 FE2 A:SF4301 2.7 21.2 1.0 FE1 A:SF4301 2.7 21.4 1.0 FE4 A:SF4301 2.7 21.1 1.0 CB A:CYS140 3.4 28.3 1.0 CA A:CYS140 3.5 28.5 1.0 N A:CYS140 3.6 28.7 1.0 S3 A:SF4301 3.8 22.3 1.0 CB A:HIS136 4.3 26.3 1.0 O A:HIS136 4.3 21.6 1.0 NE1 A:TRP246 4.4 29.6 1.0 SG A:CYS139 4.5 23.5 1.0 CD A:LYS144 4.5 36.9 1.0 C A:CYS139 4.6 26.6 1.0 CB A:CYS139 4.6 21.2 1.0 SG A:CYS228 4.7 18.1 1.0 CZ2 A:TRP246 4.8 31.1 1.0 SG A:CYS231 4.8 22.0 1.0 CA A:HIS136 5.0 23.6 1.0 CE2 A:TRP246 5.0 31.7 1.0

Iron binding site 4 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:21.1 occ:1.00 FE4 A:SF4301 0.0 21.1 1.0 S1 A:SF4301 2.3 20.1 1.0 SG A:CYS228 2.3 18.1 1.0 S2 A:SF4301 2.3 21.2 1.0 S3 A:SF4301 2.3 22.3 1.0 FE3 A:SF4301 2.7 24.1 1.0 FE2 A:SF4301 2.7 21.2 1.0 FE1 A:SF4301 2.8 21.4 1.0 CB A:CYS228 3.0 21.4 1.0 S4 A:SF4301 3.9 21.5 1.0 CG2 A:THR87 4.3 21.6 1.0 OG1 A:THR87 4.3 20.8 1.0 CB A:THR87 4.3 25.7 1.0 CA A:CYS228 4.3 23.2 1.0 N A:CYS228 4.6 24.7 1.0 SG A:CYS231 4.7 22.0 1.0 SG A:CYS140 4.7 25.4 1.0 CB A:ARG89 4.8 22.1 1.0 CD A:ARG143 4.9 16.6 1.0 SG A:CYS139 4.9 23.5 1.0 CD A:LYS144 5.0 36.9 1.0

Iron binding site 5 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:34.7 occ:1.00 FE1 B:SF4302 0.0 34.7 1.0 S4 B:SF4302 2.3 34.0 1.0 S3 B:SF4302 2.3 32.0 1.0 S2 B:SF4302 2.3 32.4 1.0 SG B:CYS140 2.3 45.6 1.0 FE3 B:SF4302 2.7 33.2 1.0 FE2 B:SF4302 2.7 34.1 1.0 FE4 B:SF4302 2.7 34.9 1.0 CB B:CYS140 3.5 39.5 1.0 CA B:CYS140 3.5 39.8 1.0 N B:CYS140 3.7 37.5 1.0 S1 B:SF4302 3.9 32.8 1.0 NE1 B:TRP246 4.2 43.5 1.0 O B:HIS136 4.4 35.1 1.0 CZ2 B:TRP246 4.5 41.6 1.0 C B:CYS139 4.5 37.8 1.0 CB B:HIS136 4.6 40.8 1.0 SG B:CYS139 4.7 35.0 1.0 CE2 B:TRP246 4.7 41.6 1.0 SG B:CYS231 4.7 34.4 1.0 SG B:CYS228 4.7 32.2 1.0 CB B:CYS139 4.8 35.6 1.0 CD2 B:HIS136 4.9 42.4 1.0

Iron binding site 6 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:34.1 occ:1.00 FE2 B:SF4302 0.0 34.1 1.0 S3 B:SF4302 2.2 32.0 1.0 SG B:CYS139 2.3 35.0 1.0 S1 B:SF4302 2.3 32.8 1.0 S4 B:SF4302 2.3 34.0 1.0 FE3 B:SF4302 2.7 33.2 1.0 FE1 B:SF4302 2.7 34.7 1.0 FE4 B:SF4302 2.7 34.9 1.0 CB B:CYS139 3.2 35.6 1.0 S2 B:SF4302 3.8 32.4 1.0 C B:CYS139 3.9 37.8 1.0 CD B:ARG143 3.9 42.3 1.0 N B:CYS140 4.0 37.5 1.0 CD1 B:PHE131 4.1 32.7 1.0 CA B:CYS139 4.2 37.1 1.0 O B:CYS139 4.3 37.8 1.0 CE1 B:PHE131 4.3 34.7 1.0 CA B:CYS140 4.5 39.8 1.0 NE B:ARG143 4.6 42.1 1.0 CG B:PHE131 4.8 33.4 1.0 SG B:CYS140 4.8 45.6 1.0 SG B:CYS228 4.8 32.2 1.0 SG B:CYS231 4.8 34.4 1.0 CG B:ARG143 5.0 42.5 1.0 CB B:ARG143 5.0 41.9 1.0

Iron binding site 7 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:33.2 occ:1.00 FE3 B:SF4302 0.0 33.2 1.0 S1 B:SF4302 2.2 32.8 1.0 S4 B:SF4302 2.2 34.0 1.0 S2 B:SF4302 2.2 32.4 1.0 SG B:CYS228 2.3 32.2 1.0 FE2 B:SF4302 2.7 34.1 1.0 FE1 B:SF4302 2.7 34.7 1.0 FE4 B:SF4302 2.7 34.9 1.0 CB B:CYS228 3.0 36.9 1.0 S3 B:SF4302 3.8 32.0 1.0 OG1 B:THR87 4.2 34.8 1.0 CG2 B:THR87 4.2 34.6 1.0 CB B:THR87 4.4 35.6 1.0 CA B:CYS228 4.4 38.7 1.0 N B:CYS228 4.7 39.4 1.0 SG B:CYS231 4.8 34.4 1.0 SG B:CYS139 4.9 35.0 1.0 SG B:CYS140 4.9 45.6 1.0 CB B:ARG89 5.0 24.2 1.0

Iron binding site 8 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:34.9 occ:1.00 FE4 B:SF4302 0.0 34.9 1.0 SG B:CYS231 2.3 34.4 1.0 S1 B:SF4302 2.3 32.8 1.0 S3 B:SF4302 2.3 32.0 1.0 S2 B:SF4302 2.3 32.4 1.0 FE3 B:SF4302 2.7 33.2 1.0 FE2 B:SF4302 2.7 34.1 1.0 FE1 B:SF4302 2.7 34.7 1.0 CB B:CYS231 3.3 33.6 1.0 S4 B:SF4302 3.9 34.0 1.0 NE1 B:TRP246 4.0 43.5 1.0 CG B:PHE131 4.2 33.4 1.0 CD1 B:PHE131 4.3 32.7 1.0 CD2 B:PHE131 4.3 32.6 1.0 CB B:CYS228 4.4 36.9 1.0 CE1 B:PHE131 4.4 34.7 1.0 CE2 B:PHE131 4.4 31.7 1.0 CZ B:PHE131 4.5 34.2 1.0 CA B:CYS231 4.5 34.7 1.0 N B:CYS231 4.6 34.6 1.0 SG B:CYS228 4.6 32.2 1.0 CD1 B:TRP246 4.7 42.0 1.0 SG B:CYS139 4.7 35.0 1.0 CB B:PHE131 4.8 32.8 1.0 CG B:PRO230 4.8 34.0 1.0 SG B:CYS140 4.9 45.6 1.0 CB B:HIS136 4.9 40.8 1.0

Iron binding site 9 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe303 b:22.4 occ:1.00 FE1 C:SF4303 0.0 22.4 1.0 SG C:CYS231 2.3 22.0 1.0 S4 C:SF4303 2.3 23.9 1.0 S3 C:SF4303 2.3 22.3 1.0 S2 C:SF4303 2.3 22.9 1.0 FE3 C:SF4303 2.7 24.8 1.0 FE2 C:SF4303 2.7 23.2 1.0 FE4 C:SF4303 2.7 21.8 1.0 CB C:CYS231 3.4 25.3 1.0 S1 C:SF4303 3.9 22.0 1.0 CD1 C:PHE131 4.0 24.8 1.0 CE1 C:PHE131 4.1 21.0 1.0 CG C:PHE131 4.1 27.0 1.0 NE1 C:TRP246 4.2 22.7 1.0 CB C:CYS228 4.4 19.5 1.0 CZ C:PHE131 4.5 22.4 1.0 CD2 C:PHE131 4.5 22.6 1.0 CE2 C:PHE131 4.6 22.4 1.0 CA C:CYS231 4.7 26.4 1.0 SG C:CYS228 4.7 22.0 1.0 CB C:PHE131 4.7 26.8 1.0 N C:CYS231 4.7 27.4 1.0 CB C:HIS136 4.7 23.6 1.0 CG C:PRO230 4.7 17.5 1.0 SG C:CYS139 4.7 23.2 1.0 SG C:CYS140 4.7 29.6 1.0 CD1 C:TRP246 4.8 22.9 1.0

Iron binding site 10 out of 32 in the Crystal Structure of Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps


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 Assimilatory Adenosine 5'- Phosphosulfate Reductase with Bound Aps within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe303 b:23.2 occ:1.00 FE2 C:SF4303 0.0 23.2 1.0 S3 C:SF4303 2.2 22.3 1.0 SG C:CYS139 2.3 23.2 1.0 S1 C:SF4303 2.3 22.0 1.0 S4 C:SF4303 2.3 23.9 1.0 FE3 C:SF4303 2.7 24.8 1.0 FE4 C:SF4303 2.7 21.8 1.0 FE1 C:SF4303 2.7 22.4 1.0 CB C:CYS139 3.2 20.3 1.0 CD1 C:PHE131 3.8 24.8 1.0 S2 C:SF4303 3.8 22.9 1.0 CD C:ARG143 3.9 20.2 1.0 CE1 C:PHE131 3.9 21.0 1.0 N C:CYS140 4.0 23.3 1.0 C C:CYS139 4.1 22.3 1.0 CA C:CYS139 4.2 20.9 1.0 NE C:ARG143 4.3 24.1 1.0 O C:CYS139 4.6 21.0 1.0 CA C:CYS140 4.6 24.2 1.0 CG C:PHE131 4.7 27.0 1.0 SG C:CYS140 4.7 29.6 1.0 SG C:CYS231 4.8 22.0 1.0 CG C:ARG143 4.9 18.5 1.0 SG C:CYS228 4.9 22.0 1.0 CZ C:PHE131 5.0 22.4 1.0 CB C:ARG143 5.0 20.7 1.0

J.Chartron, K.S.Carroll, C.Shiau, H.Gao, J.A.Leary, C.R.Bertozzi, C.D.Stout. Substrate Recognition, Protein Dynamics, and Iron-Sulfur Cluster in Pseudomonas Aeruginosa Adenosine 5'-Phosphosulfate Reductase. J.Mol.Biol. V. 364 152 2006.
ISSN: ISSN 0022-2836
PubMed: 17010373
DOI: 10.1016/J.JMB.2006.08.080