Iodine in PDB 1vkc: Putative Acetyl Transferase From Pyrococcus Furiosus

The structure of Putative Acetyl Transferase From Pyrococcus Furiosus, PDB code: 1vkc was solved by J.E.Habel, Z.-J.Liu, W.Tempel, J.P.Rose, P.S.Brereton, M.Izumi, F.E.Jenneyjr, F.L.Poole Ii, C.Shah, F.J.Sugar, M.W.W.Adams, D.C.Richardson, J.S.Richardson, B.-C.Wang, Southeast Collaboratory For Structuralgenomics (Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.919, 67.387, 49.414, 90.00, 91.55, 90.00
R / Rfree (%)	20.7 / 24.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iodine atom in the Putative Acetyl Transferase From Pyrococcus Furiosus (pdb code 1vkc). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Putative Acetyl Transferase From Pyrococcus Furiosus, PDB code: 1vkc:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:38.4 occ:0.50 N B:LYS93 3.1 37.2 1.0 OH A:TYR24 3.3 38.1 1.0 CA B:VAL92 3.7 34.7 1.0 CB B:LYS93 3.8 41.6 1.0 CE2 A:TYR24 3.9 37.0 1.0 CG B:LYS93 3.9 43.1 1.0 C B:VAL92 3.9 34.0 1.0 CD1 B:LEU18 4.0 27.4 1.0 CA B:LYS93 4.0 39.5 1.0 CZ A:TYR24 4.0 37.2 1.0 NH2 B:ARG96 4.1 47.9 1.0 CG1 B:ILE22 4.3 31.6 1.0 CB B:VAL92 4.3 35.0 1.0 CD1 B:ILE22 4.4 32.5 1.0 CD B:LYS93 4.4 45.0 1.0 O B:VAL91 4.5 28.6 1.0 CG1 B:VAL92 4.8 37.1 1.0 N B:VAL92 4.8 31.1 1.0 CZ B:ARG96 4.9 48.4 1.0

Iodine binding site 2 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:42.1 occ:0.50 N A:LYS93 3.4 35.6 1.0 OH B:TYR24 3.5 41.4 1.0 CA A:VAL92 3.8 32.8 1.0 CG A:LYS93 3.9 40.0 1.0 CE2 B:TYR24 3.9 40.2 1.0 CB A:LYS93 4.1 38.6 1.0 C A:VAL92 4.1 32.7 1.0 CD1 A:LEU18 4.1 30.4 1.0 CB A:VAL92 4.2 33.9 1.0 CZ B:TYR24 4.2 38.9 1.0 NH1 A:ARG96 4.3 49.7 1.0 CG1 A:ILE22 4.3 34.0 1.0 CA A:LYS93 4.3 36.7 1.0 CD A:LYS93 4.4 41.5 1.0 CD1 A:ILE22 4.4 33.4 1.0 CG1 A:VAL92 4.4 35.7 1.0 CE A:LYS93 4.6 42.8 1.0 O A:VAL91 4.8 31.1 1.0 CZ A:ARG96 4.9 49.9 1.0 N A:VAL92 5.0 32.9 1.0

Iodine binding site 3 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:40.2 occ:0.30 OE1 A:GLU14 2.3 47.1 1.0 CD A:GLU14 3.2 45.0 1.0 O B:HOH302 3.4 28.9 1.0 N A:LEU65 3.5 33.5 1.0 CB B:GLU34 3.8 37.0 1.0 OE2 A:GLU14 3.8 49.1 1.0 CB A:LEU65 3.8 31.4 1.0 CA A:GLU64 4.2 36.7 1.0 CG A:GLU14 4.2 39.3 1.0 CB B:SER32 4.3 29.3 1.0 CA A:LEU65 4.3 31.7 1.0 OG B:SER32 4.4 29.9 1.0 C A:GLU64 4.4 32.6 1.0 CG B:GLU34 4.4 42.5 1.0 O A:SER63 4.6 38.6 1.0 CB A:GLU14 4.7 34.9 1.0 CE1 A:TYR11 4.8 39.8 1.0 CB A:GLU64 4.8 36.5 1.0 CD1 A:TYR11 5.0 38.5 1.0

Iodine binding site 4 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I207 b:30.8 occ:0.40 OH A:TYR85 3.2 27.2 1.0 O A:HOH304 3.8 24.5 1.0 CE1 A:TYR85 3.9 23.6 1.0 CZ A:TYR85 4.1 23.1 1.0 CD A:ARG123 4.2 23.2 1.0 CB A:ARG123 4.3 20.1 1.0 CD2 A:TYR87 4.4 31.0 1.0 O A:TYR87 4.6 29.4 1.0 CG A:ARG123 4.8 19.4 1.0 CE2 A:TYR87 4.8 33.1 1.0

Iodine binding site 5 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I208 b:42.6 occ:0.30 N A:LYS82 3.4 20.6 1.0 CA A:VAL81 3.8 22.2 1.0 CB A:VAL81 3.9 21.9 1.0 CB A:LYS82 4.1 25.7 1.0 C A:VAL81 4.1 23.0 1.0 CG1 A:VAL81 4.2 24.2 1.0 CG A:LYS118 4.3 24.5 1.0 CA A:LYS82 4.4 22.9 1.0 CD A:LYS118 4.6 26.2 1.0

Iodine binding site 6 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I209 b:39.4 occ:0.30 O A:HOH331 3.6 23.6 1.0 CG2 A:VAL91 3.6 30.5 1.0 CB A:VAL91 3.8 28.8 1.0 N A:GLY101 3.8 20.4 1.0 CG1 A:VAL91 4.0 29.8 1.0 CA A:GLY101 4.0 21.3 1.0 CG A:ARG96 4.0 46.5 1.0 CA A:ARG96 4.3 44.0 1.0 CB A:ARG96 4.4 44.3 1.0 N A:GLY97 4.5 43.1 1.0 N A:ILE100 4.9 26.6 1.0 C A:ARG96 5.0 43.6 1.0 C A:ILE100 5.0 24.2 1.0

Iodine binding site 7 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I212 b:38.6 occ:0.20 CD A:PRO149 3.9 33.1 1.0 CB A:PRO149 3.9 33.5 1.0 N A:PRO149 4.0 30.6 1.0 OE1 A:GLU147 4.1 26.0 1.0 CG A:PRO149 4.2 35.1 1.0 CA A:PRO149 4.3 32.7 1.0 CB A:GLU147 4.4 24.9 1.0 C A:LYS148 4.6 26.1 1.0 O A:GLU147 4.8 22.2 1.0 C A:GLU147 4.9 23.5 1.0 N A:LYS148 5.0 24.5 1.0

Iodine binding site 8 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:I213 b:40.4 occ:0.30 CD A:LYS119 3.4 26.3 1.0 O A:HOH329 4.0 46.1 1.0 CG A:LYS119 4.1 23.3 1.0 CE A:LYS119 4.6 27.1 1.0 NZ A:LYS119 4.6 22.7 1.0 CB A:LYS119 4.9 21.2 1.0

Iodine binding site 9 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:I203 b:40.3 occ:0.40 N B:LEU65 3.6 30.8 1.0 O A:HOH305 3.9 30.0 1.0 CB B:LEU65 3.9 31.1 1.0 CB A:GLU34 4.0 33.0 1.0 CG B:GLU14 4.2 25.9 1.0 CA B:GLU64 4.2 34.5 1.0 OG A:SER32 4.3 26.7 1.0 C B:GLU64 4.4 31.9 1.0 CB A:SER32 4.4 29.5 1.0 CA B:LEU65 4.4 29.5 1.0 CE1 B:TYR11 4.6 30.5 1.0 CG A:GLU34 4.7 37.1 1.0 CB B:GLU14 4.7 24.1 1.0 CB B:GLU64 4.8 33.9 1.0 O B:SER63 4.8 39.6 1.0 CD1 B:TYR11 4.9 29.9 1.0

Iodine binding site 10 out of 13 in the Putative Acetyl Transferase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Putative Acetyl Transferase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:I205 b:35.8 occ:0.40 OH B:TYR85 3.2 26.5 1.0 O B:HOH317 3.7 25.2 1.0 CE1 B:TYR85 3.8 24.7 1.0 CZ B:TYR85 4.0 24.9 1.0 CB B:ARG123 4.2 18.5 1.0 CD B:ARG123 4.2 21.8 1.0 CD2 B:TYR87 4.3 25.0 1.0 O B:TYR87 4.6 23.5 1.0 CE2 B:TYR87 4.8 26.5 1.0 CG B:ARG123 4.8 19.4 1.0

J.E.Habel, Z.-J.Liu, W.Tempel, J.P.Rose, P.S.Brereton, M.Izumi, F.E.Jenney Jr, F.L.Poole Ii, C.Shah, F.J.Sugar, M.W.W.Adams, D.C.Richardson, J.S.Richardson, B.-C.Wang, Southeast Collaboratory For Structural Genomics. Putative Acetyl Transferase From Pyrococcus Furiosus To Be Published.