Iodine in PDB 5x3e: Kinesin 6

The structure of Kinesin 6, PDB code: 5x3e was solved by Z.Chen, R.Guan, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.85 / 2.61
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	244.152, 244.152, 42.217, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 24

The binding sites of Iodine atom in the Kinesin 6 (pdb code 5x3e). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Kinesin 6, PDB code: 5x3e:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:I520 b:67.0 occ:1.00 O A:HOH653 3.0 57.4 1.0 N A:ASN219 3.6 71.8 1.0 O A:SER347 3.7 75.1 1.0 CB A:SER347 3.7 72.5 1.0 C A:SER347 3.8 72.1 1.0 NE2 A:HIS288 3.8 55.1 1.0 OG A:SER351 3.9 67.1 1.0 CD2 A:HIS288 3.9 57.5 1.0 N A:ASN218 4.0 76.2 1.0 N A:ILE348 4.1 68.0 1.0 CB A:SER351 4.2 57.3 1.0 CG2 A:ILE216 4.2 61.2 1.0 CA A:ASN219 4.3 76.9 1.0 CA A:ILE348 4.4 76.9 1.0 CA A:SER347 4.4 76.6 1.0 CA A:ASN218 4.4 68.9 1.0 O A:ILE216 4.5 69.8 1.0 C A:ASN218 4.5 66.6 1.0 CG1 A:ILE348 4.7 68.9 1.0 C A:TYR217 4.7 75.8 1.0 OG A:SER347 4.9 90.3 1.0 C A:ILE216 4.9 64.3 1.0 CA A:TYR217 4.9 64.0 1.0

Iodine binding site 2 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:I521 b:0.5 occ:1.00 CG2 A:THR123 4.2 55.9 1.0 CD2 A:LEU263 4.3 48.5 1.0 CG A:PRO135 4.5 40.9 1.0 CB A:PRO126 4.6 65.8 1.0 CD A:PRO126 4.8 79.5 1.0 SG A:CYS267 4.8 64.0 1.0 CG A:PRO126 4.9 74.3 1.0

Iodine binding site 3 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:I522 b:0.6 occ:1.00 OE1 A:GLN320 3.6 42.5 1.0 O2 A:SO4501 4.1 86.7 1.0 OG1 A:THR292 4.1 50.3 1.0 NE2 A:GLN320 4.2 73.9 1.0 CD1 A:LEU386 4.2 46.2 1.0 CD A:GLN320 4.3 57.2 1.0 O A:MET246 4.4 52.4 1.0 CG A:LEU386 4.5 46.8 1.0 O A:LEU386 4.5 52.2 1.0 CE1 A:PHE387 4.5 41.8 1.0 CG2 A:THR292 4.7 56.0 1.0 CD1 A:PHE387 4.9 54.3 1.0 SG A:CYS322 4.9 64.1 1.0 O3 A:SO4501 4.9 87.8 1.0 S A:SO4501 4.9 54.0 1.0 O1 A:SO4501 5.0 72.4 1.0

Iodine binding site 4 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:I523 b:0.5 occ:1.00 N A:GLY115 3.5 77.7 1.0 N A:GLY117 3.5 73.0 1.0 N A:LYS118 3.5 74.2 1.0 N A:SER116 3.7 85.0 1.0 N A:THR119 3.7 56.4 1.0 CA A:GLY115 3.9 84.0 1.0 CA A:GLY117 4.1 52.8 1.0 C A:GLY115 4.1 79.2 1.0 C A:GLY117 4.2 64.0 1.0 CB A:THR119 4.3 82.3 1.0 CB A:LYS118 4.3 54.7 1.0 CA A:LYS118 4.3 59.9 1.0 OG1 A:THR119 4.4 88.5 1.0 C A:SER116 4.5 81.3 1.0 C A:LYS118 4.5 48.4 1.0 C A:THR114 4.6 80.0 1.0 CA A:THR119 4.6 72.5 1.0 CA A:SER116 4.6 75.8 1.0 O A:VAL113 4.7 80.4 1.0 CA A:THR114 4.8 82.3 1.0 N A:TYR120 4.9 60.1 1.0

Iodine binding site 5 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:I520 b:69.3 occ:1.00 N B:ASN219 3.5 76.3 1.0 O B:SER347 3.6 84.9 1.0 O B:HOH611 3.6 72.6 1.0 NE2 B:HIS288 3.7 56.5 1.0 C B:SER347 3.7 81.9 1.0 CB B:SER347 3.8 77.2 1.0 OG B:SER351 3.8 84.5 1.0 N B:ASN218 3.9 69.3 1.0 CD2 B:HIS288 3.9 55.0 1.0 N B:ILE348 4.0 79.0 1.0 CB B:SER351 4.1 63.8 1.0 CA B:ILE348 4.2 80.6 1.0 CA B:ASN219 4.2 73.6 1.0 CG2 B:ILE216 4.3 60.1 1.0 CA B:ASN218 4.3 70.2 1.0 CA B:SER347 4.4 80.3 1.0 C B:ASN218 4.4 75.5 1.0 O B:ILE216 4.6 78.0 1.0 CG1 B:ILE348 4.6 80.2 1.0 C B:TYR217 4.7 72.9 1.0 OG B:SER347 4.9 97.3 1.0 CE1 B:HIS288 4.9 55.3 1.0 CA B:TYR217 4.9 61.5 1.0 C B:ILE216 5.0 66.2 1.0 CB B:ASN219 5.0 81.5 1.0

Iodine binding site 6 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:I521 b:0.9 occ:1.00 OE1 B:GLN320 3.8 56.5 1.0 O3 B:SO4501 4.0 67.2 1.0 NE2 B:GLN320 4.1 71.0 1.0 OG1 B:THR292 4.1 46.9 1.0 SG B:CYS322 4.1 44.9 0.5 CD1 B:LEU386 4.3 42.4 1.0 CD B:GLN320 4.3 70.5 1.0 O4 B:SO4501 4.4 81.6 1.0 O B:MET246 4.4 52.9 1.0 CG B:LEU386 4.6 43.9 1.0 O B:HOH641 4.6 61.0 1.0 CE1 B:PHE387 4.7 43.0 1.0 S B:SO4501 4.7 72.4 1.0 O B:LEU386 4.7 44.0 1.0 CG2 B:THR292 4.8 47.0 1.0 O2 B:SO4501 5.0 91.5 1.0 CB B:THR292 5.0 43.6 1.0 CD2 B:LEU386 5.0 48.9 1.0

Iodine binding site 7 out of 7 in the Kinesin 6


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Kinesin 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:I522 b:0.5 occ:1.00 O B:HOH672 3.2 70.5 1.0 N B:GLY115 3.4 0.7 1.0 N B:LYS118 3.6 85.3 1.0 N B:SER116 3.7 87.2 1.0 N B:GLY117 3.7 82.6 1.0 N B:THR119 3.9 67.8 1.0 CA B:GLY115 3.9 94.5 1.0 CB B:LYS118 4.2 86.0 1.0 C B:GLY115 4.2 88.0 1.0 OG1 B:THR119 4.3 0.9 1.0 CA B:LYS118 4.3 77.0 1.0 C B:GLY117 4.3 75.5 1.0 CA B:GLY117 4.3 68.7 1.0 O B:VAL113 4.3 96.9 1.0 C B:THR114 4.4 0.4 1.0 NZ B:LYS118 4.5 87.7 1.0 CB B:THR119 4.5 88.6 1.0 CA B:THR114 4.6 97.8 1.0 C B:SER116 4.6 92.4 1.0 C B:LYS118 4.6 64.4 1.0 CA B:SER116 4.7 91.4 1.0 CG B:LYS118 4.8 86.6 1.0 CA B:THR119 4.8 72.7 1.0 CE B:LYS118 5.0 84.0 1.0

R.Guan, L.Zhang, Q.P.Su, K.J.Mickolajczyk, G.Y.Chen, W.O.Hancock, Y.Sun, Y.Zhao, Z.Chen. Crystal Structure of ZEN4 in the Apo State Reveals A Missing Conformation of Kinesin Nat Commun V. 8 14951 2017.
ISSN: ESSN 2041-1723
PubMed: 28393873
DOI: 10.1038/NCOMMS14951