Iodine in PDB 8gvv: PTPN21 Ptp Domain C1108S Mutant

All present enzymatic activity of PTPN21 Ptp Domain C1108S Mutant:
3.1.3.48;

The structure of PTPN21 Ptp Domain C1108S Mutant, PDB code: 8gvv was solved by L.Chen, Y.Y.Zheng, C.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.35 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.382, 56.433, 72.099, 90, 111.9, 90
R / Rfree (%)	19 / 22.7

The binding sites of Iodine atom in the PTPN21 Ptp Domain C1108S Mutant (pdb code 8gvv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the PTPN21 Ptp Domain C1108S Mutant, PDB code: 8gvv:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the PTPN21 Ptp Domain C1108S Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of PTPN21 Ptp Domain C1108S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I1202 b:29.1 occ:0.50 N A:CYS1155 3.8 23.2 1.0 CB A:CYS1155 4.1 26.3 1.0 SG A:CYS1155 4.1 30.6 1.0 CB A:THR1153 4.2 21.2 1.0 N A:LEU1154 4.2 24.5 1.0 CB A:LEU1154 4.4 19.3 1.0 CA A:CYS1155 4.5 21.7 1.0 I A:IOD1203 4.7 30.8 0.5 CA A:LEU1154 4.7 19.2 1.0 C A:LEU1154 4.7 22.0 1.0 OG1 A:THR1153 4.7 22.3 1.0 CG2 A:THR1153 4.8 23.0 1.0 C A:THR1153 5.0 20.5 1.0

Iodine binding site 2 out of 3 in the PTPN21 Ptp Domain C1108S Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of PTPN21 Ptp Domain C1108S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I1203 b:30.8 occ:0.50 N A:LEU1154 3.7 24.5 1.0 CA A:THR1153 4.1 19.3 1.0 C A:THR1153 4.4 20.5 1.0 CB A:LEU1154 4.4 19.3 1.0 O A:HOH1542 4.4 45.6 0.5 CE2 A:TYR900 4.5 29.1 1.0 CB A:THR1153 4.5 21.2 1.0 O A:GLN1152 4.5 22.3 1.0 I A:IOD1202 4.7 29.1 0.5 CA A:LEU1154 4.7 19.2 1.0 CG2 A:THR1153 4.8 23.0 1.0 O A:HOH1536 4.8 43.4 1.0

Iodine binding site 3 out of 3 in the PTPN21 Ptp Domain C1108S Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of PTPN21 Ptp Domain C1108S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I1204 b:50.0 occ:1.00 O A:HOH1388 3.3 28.3 1.0 N A:LEU1014 3.4 38.4 1.0 NH2 A:ARG1009 3.5 28.4 1.0 CB A:LEU1014 3.6 52.8 1.0 CD1 A:LEU1014 3.9 50.8 1.0 CG A:LEU1014 4.0 50.3 1.0 CA A:LEU1014 4.1 35.7 1.0 CD A:ARG1033 4.1 25.6 1.0 O A:HOH1465 4.2 32.2 1.0 CB A:ARG1033 4.3 26.8 1.0 CA A:ARG1013 4.3 40.0 1.0 C A:ARG1013 4.3 50.6 1.0 CG2 A:THR1030 4.4 25.9 1.0 O A:PRO1012 4.5 31.6 1.0 CZ A:ARG1009 4.7 27.9 1.0 CG A:ARG1033 4.8 22.9 1.0

L.Chen, Y.Y.Zheng, C.Zhou. Structure Analysis of PTPN21 To Be Published.