Iodine in PDB 3s1s: Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi

The structure of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi, PDB code: 3s1s was solved by B.W.Shen, D.Xu, S.-H.Chan, Y.Zheng, Y.Zhu, S.-Y.Xu, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	213.472, 215.732, 73.710, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.8

The structure of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 38;

Binding sites:

The binding sites of Iodine atom in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi (pdb code 3s1s). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 38 binding sites of Iodine where determined in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi, PDB code: 3s1s:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I939 b:91.0 occ:1.00 O A:HOH1106 2.7 79.3 1.0 CG A:GLU872 3.8 47.5 1.0 CB A:PRO871 3.8 43.5 1.0 NE2 A:GLN468 3.9 46.3 1.0 OE1 A:GLN875 3.9 53.2 1.0 CG A:GLN468 3.9 41.8 1.0 CD A:GLU872 4.0 50.2 1.0 N A:GLU872 4.0 44.6 1.0 CA A:GLU872 4.1 45.1 1.0 CD A:GLN875 4.2 51.7 1.0 OE2 A:GLU872 4.2 51.3 1.0 CG A:GLN875 4.2 49.5 1.0 C A:PRO871 4.4 44.3 1.0 OE1 A:GLU872 4.4 51.9 1.0 CD A:GLN468 4.5 44.8 1.0 CB A:GLU872 4.5 45.6 1.0 CB A:GLN468 4.8 39.5 1.0 CA A:PRO871 4.8 43.5 1.0 CB A:GLN875 4.9 47.6 1.0 CG A:PRO871 4.9 43.5 1.0 O A:PRO871 4.9 45.0 1.0

Iodine binding site 2 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I940 b:0.9 occ:1.00 NZ A:LYS699 3.0 62.3 1.0 O A:HOH1173 3.5 44.4 1.0 CE A:LYS699 3.8 61.8 1.0 CZ A:PHE695 3.9 52.8 1.0 CD A:LYS629 4.2 57.7 1.0 CB A:LYS629 4.3 55.0 1.0 CD A:LYS699 4.4 60.9 1.0 CE2 A:PHE695 4.6 52.8 1.0 CG A:LYS629 4.8 56.3 1.0 CB A:LYS627 4.8 54.9 1.0 CE1 A:PHE695 4.9 53.6 1.0

Iodine binding site 3 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I941 b:0.8 occ:1.00 N A:TYR173 3.6 35.3 1.0 CD2 A:TYR173 3.7 34.9 1.0 CG2 A:THR172 4.1 36.0 1.0 CB A:TYR173 4.1 35.0 1.0 CA A:THR172 4.3 36.0 1.0 CG A:TYR173 4.3 35.0 1.0 CA A:TYR173 4.4 35.2 1.0 C A:THR172 4.4 35.5 1.0 CE2 A:TYR173 4.7 35.8 1.0 O A:TYR173 4.7 34.9 1.0 CB A:THR172 4.8 36.3 1.0

Iodine binding site 4 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I942 b:0.1 occ:1.00 N A:VAL148 3.5 28.5 1.0 O A:HOH1024 3.5 39.8 1.0 CG2 A:VAL148 3.6 27.5 1.0 CA A:THR147 3.7 28.2 1.0 C A:THR147 4.1 28.4 1.0 CB A:VAL148 4.3 28.8 1.0 CB A:THR147 4.3 28.4 1.0 O A:HOH1035 4.4 44.3 1.0 O A:ASP146 4.4 27.9 1.0 CA A:VAL148 4.5 28.5 1.0 CG2 A:THR147 4.8 27.7 1.0 O A:HOH1123 4.8 28.6 1.0 N A:THR147 4.8 27.8 1.0 O A:HOH1030 5.0 23.8 1.0

Iodine binding site 5 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I943 b:0.5 occ:1.00 NH1 A:ARG834 3.7 45.2 0.5 N A:VAL835 3.7 44.6 1.0 CG2 A:VAL835 3.9 45.8 1.0 O1 A:EDO921 3.9 61.1 1.0 C1 A:EDO921 3.9 60.9 1.0 CB A:SER56 4.0 41.6 1.0 CB A:VAL835 4.2 45.6 1.0 CA A:ARG834 4.3 43.7 0.5 CD A:ARG834 4.3 44.2 0.5 CA A:SER56 4.4 41.0 1.0 CA A:ARG834 4.4 43.7 0.5 C A:ARG834 4.6 44.1 1.0 CA A:VAL835 4.6 45.4 1.0 CB A:ARG834 4.8 43.8 0.5 CZ A:ARG834 4.8 45.1 0.5 CB A:ARG834 4.9 43.7 0.5

Iodine binding site 6 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I944 b:0.4 occ:1.00 NH2 A:ARG542 3.3 40.0 1.0 NZ A:LYS541 3.7 39.4 1.0 CD2 A:HIS538 3.9 36.5 1.0 NH1 A:ARG542 4.1 38.3 1.0 CZ A:ARG542 4.2 39.8 1.0 CD A:LYS541 4.4 38.9 1.0 CE A:LYS541 4.4 40.1 1.0 CG A:HIS538 4.4 36.0 1.0 CB A:HIS538 4.5 34.5 1.0 CA A:HIS538 4.6 34.0 1.0 NE2 A:HIS538 4.9 38.1 1.0

Iodine binding site 7 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I945 b:0.6 occ:1.00 NZ A:LYS64 3.3 40.4 1.0 NZ A:LYS103 3.7 45.3 1.0 CE A:LYS64 4.1 40.1 1.0 CB A:LYS69 4.1 43.3 1.0 CE A:LYS103 4.2 44.5 1.0 CG A:LYS69 4.3 44.3 1.0 CD A:LYS69 4.3 47.0 1.0

Iodine binding site 8 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I946 b:0.2 occ:1.00 CG A:GLN800 3.8 58.5 1.0 CD1 A:LEU608 3.9 61.5 1.0 CG2 A:VAL602 3.9 62.5 1.0 CD2 A:LEU608 4.0 60.6 1.0 CB A:LEU608 4.0 61.2 1.0 CA A:VAL602 4.0 62.4 1.0 CG A:LEU608 4.1 61.2 1.0 CB A:VAL602 4.2 62.4 1.0 CE A:LYS796 4.3 58.8 1.0 NE2 A:GLN800 4.4 61.0 1.0 CD A:GLN800 4.5 60.0 1.0 CB A:GLN800 4.6 56.9 1.0 N A:LEU608 4.6 62.2 1.0 N A:VAL602 4.7 61.8 1.0 O A:TYR606 4.8 64.8 1.0 CA A:GLN800 4.8 56.6 1.0 O A:LEU601 4.9 61.2 1.0 O A:VAL602 4.9 63.4 1.0 CA A:LEU608 5.0 61.3 1.0

Iodine binding site 9 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I947 b:0.5 occ:1.00 O A:HOH1250 2.8 65.2 1.0 CG A:GLU567 3.8 52.4 1.0 CD A:ARG571 4.2 51.5 1.0 CA A:GLU567 4.3 49.5 1.0 CG A:ARG571 4.3 49.9 1.0 CB A:GLU567 4.4 49.9 1.0 O A:GLU567 4.5 49.5 1.0 CD A:GLU567 4.6 55.6 1.0 CB A:ASN570 4.7 49.7 1.0 OD1 A:ASN570 4.9 54.2 1.0 C A:GLU567 4.9 48.9 1.0 OE2 A:GLU567 5.0 56.9 1.0

Iodine binding site 10 out of 38 in the Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Bpusi within 5.0Å range: probe atom residue distance (Å) B Occ A:I948 b:0.4 occ:1.00 O A:HOH1212 3.6 62.1 1.0 NH2 A:ARG88 3.6 43.4 1.0 O A:HOH1151 3.6 53.1 1.0 O A:HOH1113 3.7 54.7 1.0 O A:HOH1140 3.7 43.5 1.0 N A:LEU501 3.7 39.6 1.0 CA A:GLY500 3.8 38.8 1.0 NH1 A:ARG498 4.0 41.3 1.0 NH1 A:ARG88 4.2 41.2 1.0 C A:GLY500 4.3 39.2 1.0 CZ A:ARG88 4.4 41.6 1.0 NH2 A:ARG498 4.6 40.0 1.0 CB A:LEU501 4.7 39.5 1.0 CZ A:ARG498 4.8 40.9 1.0 CA A:LEU501 4.8 39.6 1.0 CG A:LEU501 4.8 40.2 1.0 CD1 A:ILE506 5.0 39.4 1.0 CG A:PRO298 5.0 36.9 1.0

B.W.Shen, D.Xu, S.H.Chan, Y.Zheng, Z.Zhu, S.Y.Xu, B.L.Stoddard. Characterization and Crystal Structure of the Type Iig Restriction Endonuclease Rm.Bpusi. Nucleic Acids Res. V. 39 8223 2011.
ISSN: ISSN 0305-1048
PubMed: 21724614
DOI: 10.1093/NAR/GKR543