Iodine in PDB 4lis: Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans

The structure of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans, PDB code: 4lis was solved by S.A.Dalrymple, J.Ko, I.Sheoran, S.G.W.Kaminskyj, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.71 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.133, 119.154, 161.424, 90.00, 98.48, 90.00
R / Rfree (%)	21.3 / 26.2

The binding sites of Iodine atom in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans (pdb code 4lis). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans, PDB code: 4lis:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:88.6 occ:0.64 O A:GLU211 3.9 77.0 1.0 CA A:PRO222 4.2 75.9 1.0 CB A:PRO222 4.3 68.8 1.0 OG1 A:THR350 4.3 77.9 1.0 CD1 A:LEU346 4.4 80.9 1.0 NE1 A:TRP349 4.5 56.9 1.0 CB A:ALA225 4.5 52.0 1.0 CD1 A:TRP349 4.5 49.3 1.0 CG A:PRO222 4.7 78.0 1.0 CB A:GLU211 4.8 42.3 1.0 O A:PRO222 4.9 66.7 1.0 C A:GLU211 4.9 59.1 1.0

Iodine binding site 2 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:67.5 occ:0.45 NH2 A:ARG312 3.5 82.5 1.0 N A:ALA243 3.7 83.9 1.0 CB A:ALA243 4.0 60.5 1.0 NH1 A:ARG312 4.2 65.8 1.0 CA A:TYR242 4.3 66.3 1.0 CZ A:ARG312 4.3 78.4 1.0 CD1 A:TYR242 4.3 62.7 1.0 C A:TYR242 4.4 73.0 1.0 CD2 A:LEU318 4.4 67.1 1.0 CA A:ALA243 4.4 62.7 1.0 CG A:LEU318 4.5 73.9 1.0 O A:ASP241 4.7 78.1 1.0 CB A:TYR242 4.9 73.5 1.0

Iodine binding site 3 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:74.8 occ:0.43 OE1 A:GLN174 3.4 71.5 1.0 CD A:GLN174 4.6 72.3 1.0 CG1 A:VAL170 4.8 51.2 1.0 CG2 A:VAL116 4.9 51.6 1.0 O A:VAL170 5.0 77.9 1.0

Iodine binding site 4 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ B:I403 b:74.4 occ:0.58 O B:GLU211 3.9 76.2 1.0 CD1 B:LEU346 4.1 47.5 1.0 CA B:PRO222 4.2 74.8 1.0 CB B:PRO222 4.2 50.7 1.0 OG1 B:THR350 4.4 91.9 1.0 CB B:ALA225 4.5 52.5 1.0 O B:HOH509 4.5 40.6 1.0 O B:HOH519 4.6 59.9 1.0 CD1 B:TRP349 4.6 43.1 1.0 NE1 B:TRP349 4.6 57.1 1.0 CB B:GLU211 4.6 36.5 1.0 CG B:PRO222 4.6 62.3 1.0 OE1 B:GLU211 4.7 67.0 1.0 C B:GLU211 4.8 66.6 1.0 O B:PRO222 4.9 62.1 1.0

Iodine binding site 5 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ B:I404 b:84.2 occ:0.54 NH2 B:ARG312 3.5 77.8 1.0 N B:ALA243 3.6 79.3 1.0 CD2 B:LEU318 3.9 51.0 1.0 CB B:ALA243 3.9 61.4 1.0 CD1 B:TYR242 4.0 80.1 1.0 CG B:LEU318 4.0 79.6 1.0 CA B:TYR242 4.1 60.0 1.0 C B:TYR242 4.2 62.1 1.0 CZ B:ARG312 4.3 78.1 1.0 NH1 B:ARG312 4.4 56.9 1.0 CA B:ALA243 4.4 76.0 1.0 CB B:LEU318 4.5 81.9 1.0 O B:HOH527 4.6 68.3 1.0 CB B:TYR242 4.6 61.6 1.0 CG B:TYR242 4.8 74.5 1.0 CE1 B:TYR242 4.8 57.9 1.0 O B:ASP241 4.8 90.0 1.0

Iodine binding site 6 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ B:I405 b:86.2 occ:0.46 OE1 B:GLN174 3.3 62.1 1.0 CB C:LEU98 3.7 51.1 1.0 CD C:PRO97 3.7 58.7 1.0 CG C:LEU98 3.9 55.9 1.0 CD1 C:LEU98 3.9 73.8 1.0 N C:LEU98 3.9 59.7 1.0 CG C:PRO97 4.2 64.2 1.0 N C:PRO97 4.2 59.0 1.0 CA C:LYS96 4.3 64.5 1.0 CA C:LEU98 4.5 58.4 1.0 CD B:GLN174 4.5 62.2 1.0 C C:LYS96 4.5 53.0 1.0 CG1 B:VAL170 4.6 53.9 1.0 O C:GLU95 4.7 56.3 1.0 O B:VAL170 4.7 62.0 1.0 CB B:ALA173 4.9 70.2 1.0

Iodine binding site 7 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ C:I403 b:94.9 occ:0.68 O C:HOH512 3.7 52.5 1.0 O C:GLU211 3.7 75.6 1.0 CA C:PRO222 4.1 82.9 1.0 CB C:PRO222 4.1 67.9 1.0 O C:HOH503 4.1 53.5 1.0 CD1 C:LEU346 4.5 66.3 1.0 OG1 C:THR350 4.6 86.2 1.0 CB C:ALA225 4.6 59.7 1.0 CB C:GLU211 4.6 53.0 1.0 CG C:PRO222 4.6 65.6 1.0 NE1 C:TRP349 4.6 47.5 1.0 CD1 C:TRP349 4.7 57.5 1.0 C C:GLU211 4.8 51.0 1.0 O C:PRO222 4.8 80.5 1.0 OE1 C:GLU211 4.9 72.8 1.0 C C:PRO222 5.0 75.1 1.0

Iodine binding site 8 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ C:I404 b:0.1 occ:0.64 NH2 C:ARG312 3.5 96.7 1.0 N C:ALA243 3.6 89.9 1.0 CB C:ALA243 4.0 83.0 1.0 CA C:TYR242 4.1 81.7 1.0 CD1 C:TYR242 4.1 92.4 1.0 CD2 C:LEU318 4.2 81.5 1.0 C C:TYR242 4.2 83.9 1.0 CZ C:ARG312 4.2 0.9 1.0 NH1 C:ARG312 4.3 93.0 1.0 CG C:LEU318 4.3 87.0 1.0 CA C:ALA243 4.4 88.3 1.0 O C:ASP241 4.6 93.8 1.0 CB C:TYR242 4.7 76.0 1.0 CB C:LEU318 4.8 92.3 1.0 CG C:TYR242 4.8 89.1 1.0 CE1 C:TYR242 4.9 83.8 1.0

Iodine binding site 9 out of 9 in the Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Udp-Galactose-4-Epimerase From Aspergillus Nidulans within 5.0Å range: probe atom residue distance (Å) B Occ C:I405 b:81.1 occ:0.49 OE1 C:GLN174 3.4 56.6 1.0 CD B:PRO97 3.7 52.4 1.0 CB B:LEU98 3.7 65.0 1.0 N B:LEU98 3.9 60.9 1.0 CG B:LEU98 3.9 56.8 1.0 CD1 B:LEU98 4.0 60.3 1.0 CG B:PRO97 4.2 76.6 1.0 N B:PRO97 4.2 51.0 1.0 CA B:LYS96 4.2 68.5 1.0 C B:LYS96 4.4 63.3 1.0 CA B:LEU98 4.5 62.8 1.0 CD C:GLN174 4.5 61.9 1.0 CG1 C:VAL170 4.7 38.7 1.0 O B:GLU95 4.7 50.9 1.0 O C:VAL170 4.8 69.1 1.0 CB C:ALA173 4.9 53.6 1.0 C B:PRO97 5.0 58.2 1.0

S.A.Dalrymple, J.Ko, I.Sheoran, S.G.Kaminskyj, D.A.Sanders. Elucidation of Substrate Specificity in Aspergillus Nidulans Udp-Galactose-4-Epimerase. Plos One V. 8 76803 2013.
ISSN: ESSN 1932-6203
PubMed: 24116166
DOI: 10.1371/JOURNAL.PONE.0076803