Iodine in PDB 5jvf: Crystal Structure of Apo-Flen

The structure of Crystal Structure of Apo-Flen, PDB code: 5jvf was solved by D.Jain, Chanchal, P.Banerjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.57 / 1.66
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.250, 66.250, 112.870, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 21.7

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Apo-Flen (pdb code 5jvf). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Crystal Structure of Apo-Flen, PDB code: 5jvf:
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 Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:20.1 occ:0.50 O A:HOH571 3.5 63.7 0.5 N A:ARG236 3.6 20.6 1.0 CA A:PHE234 3.7 17.3 1.0 C A:PHE234 3.8 17.0 1.0 N A:PRO235 4.0 17.3 1.0 CB A:PHE234 4.0 17.2 1.0 CD A:PRO235 4.1 22.1 1.0 CB A:ARG236 4.1 20.5 1.0 CA A:ARG236 4.2 17.7 1.0 N A:SER237 4.2 19.6 1.0 O A:PHE234 4.3 16.8 1.0 C A:ARG236 4.3 21.5 1.0 CD1 A:PHE234 4.4 20.4 1.0 CG A:PRO235 4.7 22.0 1.0 C A:PRO235 4.7 22.5 1.0 CG A:PHE234 4.7 20.8 1.0 CA A:PRO235 4.9 18.2 1.0 O A:ALA233 4.9 24.2 1.0 CG A:ARG236 4.9 30.2 1.0

Iodine binding site 2 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:24.4 occ:1.00 N A:LEU263 3.5 27.9 1.0 O A:HOH549 3.5 30.8 1.0 N A:VAL10 3.6 23.0 1.0 N A:GLY261 3.6 45.1 1.0 CE2 A:PHE265 3.8 34.9 1.0 CA A:LEU263 3.9 27.0 1.0 CD2 A:PHE265 3.9 32.8 1.0 C A:GLY261 4.0 30.4 1.0 CB A:PRO9 4.0 30.2 1.0 CA A:PRO9 4.1 27.8 1.0 CA A:GLY261 4.1 29.3 1.0 N A:HIS262 4.1 31.3 1.0 CG2 A:VAL10 4.2 25.9 1.0 ND2 A:ASN258 4.2 39.4 1.0 CB A:VAL10 4.2 20.8 1.0 C A:PRO9 4.3 27.5 1.0 O A:GLY261 4.3 35.7 1.0 CD2 A:LEU263 4.4 21.6 1.0 CA A:VAL10 4.5 23.5 1.0 C A:ARG260 4.6 38.2 1.0 CA A:ARG260 4.6 30.2 1.0 C A:HIS262 4.6 25.5 1.0 CG A:LEU263 4.6 22.6 1.0 O A:PRO259 4.7 40.3 1.0 CA A:HIS262 4.7 26.0 1.0 O A:VAL10 4.8 27.2 1.0 C A:LEU263 4.9 29.4 1.0 CB A:LEU263 4.9 27.4 1.0 N A:GLU264 5.0 28.5 1.0 CG A:ARG260 5.0 42.9 1.0

Iodine binding site 3 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:23.6 occ:0.89 I A:IOD310 3.4 0.9 0.7 ND2 A:ASN30 3.6 22.5 1.0 N A:VAL230 3.7 17.9 1.0 N A:ASN26 3.9 58.2 1.0 CG1 A:VAL220 4.1 22.3 1.0 CB A:VAL230 4.2 15.4 1.0 CG2 A:VAL224 4.2 24.6 1.0 CG1 A:VAL230 4.2 16.9 1.0 CA A:ALA229 4.3 21.1 1.0 CA A:THR25 4.3 87.1 1.0 O A:LYS24 4.4 96.7 1.0 C A:ALA229 4.5 22.3 1.0 CA A:VAL230 4.5 18.9 1.0 O A:ARG228 4.5 22.6 1.0 CG A:ASN30 4.6 18.7 1.0 C A:THR25 4.6 78.3 1.0 OD1 A:ASN30 4.7 20.9 1.0 O A:VAL220 4.7 22.5 1.0 CB A:ASN26 4.8 47.4 1.0 CA A:ASN26 4.9 41.7 1.0 CB A:ALA229 5.0 20.6 1.0

Iodine binding site 4 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:32.1 occ:0.71 O A:HOH544 3.3 36.9 1.0 CA A:GLY95 3.9 83.9 1.0 NE2 A:GLN97 4.0 77.7 1.0 OE1 A:GLN97 4.0 86.1 1.0 N A:ALA67 4.0 30.8 1.0 N A:GLY95 4.0 67.6 1.0 CD2 A:LEU66 4.0 29.5 1.0 CG A:LEU66 4.2 29.1 1.0 CD1 A:ILE70 4.2 34.0 1.0 CA A:ALA67 4.2 31.9 1.0 CB A:ALA67 4.3 38.1 1.0 CB A:LEU66 4.3 27.1 1.0 O A:ALA92 4.3 35.2 1.0 CZ A:PHE139 4.4 35.0 1.0 CD A:GLN97 4.5 78.8 1.0 C A:ALA92 4.5 34.4 1.0 C A:LEU66 4.5 29.7 1.0 CA A:ALA92 4.6 30.8 1.0 CB A:ALA92 4.7 29.1 1.0 CE2 A:PHE139 4.8 32.6 1.0 CA A:LEU66 5.0 24.4 1.0

Iodine binding site 5 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:52.1 occ:0.46 O A:HOH580 1.4 30.0 1.0 CG A:ARG64 3.7 50.9 1.0 CB A:ARG73 3.8 45.0 1.0 CD A:ARG64 3.9 67.2 1.0 CB A:CYS74 4.2 44.7 1.0 O A:ARG73 4.3 46.8 1.0 SG A:CYS74 4.3 36.0 1.0 C A:ARG73 4.4 44.1 1.0 CB A:ASP68 4.4 40.1 1.0 CG A:ASP68 4.4 45.5 1.0 CD A:ARG73 4.5 50.2 1.0 OD1 A:ASP68 4.6 44.9 1.0 N A:CYS74 4.7 39.2 1.0 CA A:ARG73 4.7 40.5 1.0 CB A:ARG64 4.8 32.0 1.0 CG A:ARG73 4.8 44.1 1.0 OD2 A:ASP68 4.8 37.9 1.0

Iodine binding site 6 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:42.3 occ:0.35 O A:HOH578 2.7 56.5 1.0 O A:HOH548 3.3 35.5 1.0 O A:HOH518 3.4 35.3 1.0 CB A:PRO235 4.0 21.4 1.0 CG A:PRO235 4.0 22.0 1.0 O A:HOH586 4.5 58.5 1.0 CG A:ARG236 4.5 30.2 1.0 O A:HOH522 4.6 45.4 1.0 CD A:ARG236 4.7 36.9 1.0 OD2 A:ASP37 4.9 32.1 1.0 O A:HOH466 4.9 26.6 1.0

Iodine binding site 7 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:39.3 occ:0.35 CA A:ALA194 3.8 31.8 1.0 CD2 A:PHE193 3.8 25.8 1.0 CB A:ALA194 4.0 30.6 1.0 CE2 A:PHE193 4.2 28.3 1.0 O A:HOH508 4.2 45.5 1.0 N A:ALA194 4.3 26.7 1.0 OG1 A:THR197 4.4 30.7 1.0 CB A:THR197 4.6 26.7 1.0 C A:PHE193 4.7 27.6 1.0 NH2 A:ARG190 4.7 58.9 1.0 O A:PHE193 4.7 29.2 1.0 NE A:ARG190 4.7 51.3 1.0 CG2 A:THR197 4.8 34.4 1.0 CG A:PHE193 4.9 28.5 1.0

Iodine binding site 8 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:30.2 occ:0.27 OE1 A:GLN209 2.8 25.7 1.0 NE1 A:TRP253 3.1 24.0 1.0 CD A:GLN209 3.4 21.1 1.0 NE2 A:GLN209 3.5 25.2 1.0 CB A:LYS249 4.0 24.1 1.0 CE2 A:TRP253 4.0 27.7 1.0 NH1 A:ARG177 4.0 24.6 1.0 CG2 A:VAL211 4.0 19.7 1.0 CA A:VAL211 4.1 18.5 1.0 CD1 A:TRP253 4.2 22.5 1.0 CZ2 A:TRP253 4.2 22.1 1.0 O A:HOH568 4.3 40.3 1.0 CG A:LYS249 4.3 29.9 1.0 CG1 A:VAL211 4.3 19.0 1.0 CD A:LYS249 4.3 43.0 1.0 CB A:VAL211 4.4 17.0 1.0 O A:TYR210 4.6 21.1 1.0 N A:VAL211 4.8 19.7 1.0 CG A:GLN209 4.8 26.1 1.0 CD A:ARG177 4.9 23.1 1.0 O A:VAL211 4.9 22.2 1.0 CZ A:ARG177 5.0 23.1 1.0 C A:TYR210 5.0 18.7 1.0

Iodine binding site 9 out of 13 in the Crystal Structure of Apo-Flen


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 Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I309 b:57.6 occ:1.00 CG A:PRO254 4.3 28.2 1.0 CB A:PRO254 4.4 21.8 1.0

Iodine binding site 10 out of 13 in the Crystal Structure of Apo-Flen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Apo-Flen within 5.0Å range: probe atom residue distance (Å) B Occ A:I310 b:0.9 occ:0.69 O A:HOH446 2.8 34.9 1.0 ND2 A:ASN30 3.0 22.5 1.0 CE2 A:PHE243 3.4 19.1 1.0 I A:IOD303 3.4 23.6 0.9 CZ A:PHE243 3.5 20.1 1.0 N A:ASN26 3.6 58.2 1.0 CB A:THR25 3.7 80.6 1.0 C A:THR25 3.7 78.3 1.0 CA A:THR25 3.8 87.1 1.0 CG A:ASN30 4.0 18.7 1.0 CG1 A:VAL230 4.0 16.9 1.0 C A:ASN26 4.2 22.5 1.0 O A:ASN26 4.2 24.4 1.0 O A:THR25 4.4 77.3 1.0 CG1 A:VAL220 4.5 22.3 1.0 CA A:ASN26 4.5 41.7 1.0 OG1 A:THR25 4.5 91.2 1.0 CG2 A:VAL220 4.6 17.6 1.0 CB A:ASN30 4.7 14.6 1.0 CD2 A:PHE243 4.7 18.3 1.0 N A:VAL27 4.7 22.1 1.0 CE1 A:PHE243 4.8 20.5 1.0 CG2 A:THR25 4.8 77.2 1.0 OD1 A:ASN30 4.8 20.9 1.0

Chanchal, P.Banerjee, D.Jain. Atp-Induced Structural Remodeling in the Antiactivator Flen Enables Formation of the Functional Dimeric Form Structure V. 25 243 2017.
ISSN: ISSN 1878-4186
PubMed: 28065505
DOI: 10.1016/J.STR.2016.11.022