Iodine in PDB 5cym: Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole

All present enzymatic activity of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole:
2.7.7.49;

The structure of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole, PDB code: 5cym was solved by J.D.Bauman, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.17 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.842, 73.483, 109.582, 90.00, 100.67, 90.00
R / Rfree (%)	19.5 / 22.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iodine atom in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole (pdb code 5cym). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 20 binding sites of Iodine where determined in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole, PDB code: 5cym:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I607 b:0.5 occ:1.00 HE2 A:MET164 2.7 81.7 1.0 HG22 A:VAL118 3.0 57.0 1.0 HD13 A:ILE5 3.0 77.0 1.0 HD12 A:ILE167 3.1 83.2 1.0 HG23 A:VAL118 3.4 57.0 1.0 HE1 A:PHE160 3.5 67.4 1.0 CG2 A:VAL118 3.5 47.5 1.0 HB3 A:SER163 3.5 52.4 1.0 HG21 A:VAL118 3.5 57.0 1.0 CE A:MET164 3.6 68.1 1.0 HB2 A:SER163 3.6 52.4 1.0 HE1 A:MET164 3.6 81.7 1.0 HA A:MET164 3.6 50.6 1.0 HD11 A:LEU214 3.6 79.6 1.0 HD11 A:ILE5 3.6 77.0 1.0 CD1 A:ILE5 3.7 64.1 1.0 HB2 A:MET164 3.9 52.0 1.0 CD1 A:ILE167 3.9 69.3 1.0 HD11 A:ILE167 3.9 83.2 1.0 HD1 A:PHE160 3.9 62.5 1.0 CB A:SER163 4.0 43.7 1.0 HB1 A:ALA114 4.0 0.4 1.0 N A:MET164 4.0 43.0 1.0 HE3 A:MET164 4.1 81.7 1.0 CE1 A:PHE160 4.1 56.1 1.0 HD13 A:ILE167 4.1 83.2 1.0 HD13 A:LEU214 4.2 79.6 1.0 C A:SER163 4.2 46.4 1.0 CA A:MET164 4.2 42.1 1.0 H A:MET164 4.2 51.6 1.0 O A:ALA114 4.2 0.1 1.0 HD12 A:ILE5 4.2 77.0 1.0 CD1 A:LEU214 4.3 66.3 1.0 HG21 A:ILE5 4.3 75.0 1.0 CD1 A:PHE160 4.3 52.1 1.0 O A:SER163 4.4 42.9 1.0 CB A:MET164 4.5 43.3 1.0 O A:PHE160 4.7 44.4 1.0 HG12 A:ILE5 4.7 87.8 1.0 HD21 A:LEU214 4.7 81.8 1.0 CA A:SER163 4.8 35.2 1.0 SD A:MET164 4.8 81.8 1.0 HD12 A:LEU214 4.8 79.6 1.0 HA A:TYR115 4.8 74.4 1.0 C A:ALA114 4.9 0.6 1.0 CG1 A:ILE5 4.9 73.1 1.0 CB A:ALA114 4.9 0.7 1.0 CB A:VAL118 5.0 53.1 1.0 HB2 A:SER117 5.0 0.3 1.0 HB3 A:ALA114 5.0 0.4 1.0

Iodine binding site 2 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I608 b:0.7 occ:1.00 O A:GLY453 3.2 39.2 1.0 HB3 A:LEU452 3.3 78.2 1.0 HG3 A:LYS454 3.4 49.0 1.0 HE3 A:LYS454 3.5 67.2 1.0 HB3 A:PRO468 3.7 62.9 1.0 HG2 A:LYS454 3.8 49.0 1.0 H A:LEU469 3.8 67.0 1.0 HB2 A:PRO468 3.8 62.9 1.0 HA A:PRO468 3.8 62.0 1.0 H A:GLY453 3.9 72.5 1.0 CG A:LYS454 4.0 40.8 1.0 HE2 A:LYS454 4.0 67.2 1.0 C A:GLY453 4.0 63.3 1.0 CB A:PRO468 4.1 52.4 1.0 N A:GLY453 4.1 60.4 1.0 CE A:LYS454 4.2 56.0 1.0 CB A:LEU452 4.2 65.2 1.0 HD13 A:LEU452 4.3 79.8 1.0 CA A:PRO468 4.4 51.7 1.0 O A:LEU469 4.4 59.9 1.0 HB2 A:LEU452 4.4 78.2 1.0 N A:LEU469 4.5 55.8 1.0 CA A:GLY453 4.5 58.4 1.0 HD22 A:LEU452 4.6 96.6 1.0 HA2 A:GLY453 4.6 70.0 1.0 C A:LEU452 4.6 64.0 1.0 CD A:LYS454 4.7 46.8 1.0 C A:PRO468 4.9 51.8 1.0 CA A:LEU452 4.9 61.5 1.0 N A:LYS454 5.0 42.6 1.0

Iodine binding site 3 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I609 b:1.0 occ:1.00 HG2 A:GLU514 3.3 0.1 1.0 HG2 A:LYS512 3.4 73.7 1.0 HG3 A:GLU514 3.6 0.1 1.0 HE2 A:LYS512 3.6 0.3 1.0 HG22 A:THR362 3.8 66.9 1.0 C A:SER513 3.9 59.7 1.0 CG A:GLU514 3.9 95.1 1.0 HA A:SER513 3.9 61.0 1.0 N A:GLU514 3.9 54.9 1.0 HD2 A:ARG356 4.0 69.1 1.0 H A:GLU514 4.0 65.8 1.0 NH1 A:ARG356 4.1 70.7 1.0 O A:SER513 4.1 61.0 1.0 HH11 A:ARG356 4.1 84.9 1.0 HA A:GLU514 4.2 73.0 1.0 HD3 A:LYS512 4.2 0.3 1.0 CZ A:ARG356 4.2 84.5 1.0 CA A:SER513 4.2 50.9 1.0 HH12 A:ARG356 4.3 84.9 1.0 CG A:LYS512 4.3 61.4 1.0 N A:SER513 4.3 57.0 1.0 HG21 A:THR362 4.4 66.9 1.0 CE A:LYS512 4.5 0.6 1.0 O A:GLY359 4.5 75.8 1.0 NE A:ARG356 4.5 85.9 1.0 CA A:GLU514 4.5 60.8 1.0 CG2 A:THR362 4.5 55.8 1.0 CD A:LYS512 4.5 87.7 1.0 O A:ALA360 4.5 70.0 1.0 HB3 A:LYS512 4.6 68.8 1.0 H A:SER513 4.6 68.4 1.0 C A:LYS512 4.6 52.7 1.0 O A:LYS512 4.7 52.7 1.0 NH2 A:ARG356 4.7 82.5 1.0 CD A:ARG356 4.7 57.6 1.0 HA A:HIS361 4.8 81.9 1.0 CB A:GLU514 4.8 64.9 1.0 HH22 A:ARG356 4.8 99.0 1.0 HE A:ARG356 4.9 0.0 1.0 OE2 A:GLU514 4.9 0.9 1.0 HZ3 A:LYS512 5.0 0.1 1.0 CB A:LYS512 5.0 57.3 1.0 CD A:GLU514 5.0 98.8 1.0 HG3 A:LYS512 5.0 73.7 1.0

Iodine binding site 4 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I610 b:0.4 occ:1.00 HA2 A:GLY453 3.4 70.0 1.0 O A:ALA554 3.5 0.6 1.0 HA A:SER553 3.5 0.2 1.0 HG3 A:LYS454 3.8 49.0 1.0 O A:SER553 3.9 0.7 1.0 C A:SER553 4.0 0.5 1.0 HA A:ALA446 4.1 70.6 1.0 HD2 A:LYS454 4.2 56.1 1.0 CA A:SER553 4.2 0.8 1.0 O A:ALA445 4.3 46.8 1.0 CA A:GLY453 4.3 58.4 1.0 O A:LEU452 4.3 58.9 1.0 C A:ALA554 4.3 0.4 1.0 HB3 A:ALA445 4.4 75.2 1.0 HB2 A:ASN447 4.4 71.7 1.0 H A:LYS454 4.4 51.1 1.0 HE3 A:LYS454 4.5 67.2 1.0 H A:ASN447 4.5 76.0 1.0 HB2 A:LYS454 4.5 50.3 1.0 C A:GLY453 4.6 63.3 1.0 N A:ALA554 4.6 1.0 1.0 N A:LYS454 4.6 42.6 1.0 CG A:LYS454 4.6 40.8 1.0 C A:ALA445 4.7 57.6 1.0 N A:ASN447 4.7 63.3 1.0 CA A:ALA446 4.8 58.8 1.0 CD A:LYS454 4.8 46.8 1.0 N A:SER553 4.8 0.3 1.0 C A:ALA446 4.9 57.7 1.0 HA3 A:GLY453 4.9 70.0 1.0 C A:LEU452 4.9 64.0 1.0 N A:GLY453 5.0 60.4 1.0 N A:ALA446 5.0 53.6 1.0 HB1 A:ALA445 5.0 75.2 1.0 H A:ALA554 5.0 0.6 1.0

Iodine binding site 5 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I611 b:0.7 occ:1.00 HZ2 A:LYS263 2.7 98.3 1.0 HD3 A:PRO247 3.1 0.7 1.0 HG3 A:PRO247 3.2 0.7 1.0 HE3 A:LYS259 3.3 0.2 1.0 HA A:LEU260 3.3 82.2 1.0 HD2 A:PRO247 3.3 0.7 1.0 HD2 A:LYS263 3.3 83.2 1.0 HB3 A:LYS259 3.4 0.9 1.0 CD A:PRO247 3.5 83.9 1.0 NZ A:LYS263 3.5 82.0 1.0 HG2 A:LYS259 3.6 1.0 1.0 CG A:PRO247 3.7 93.1 1.0 N A:LEU260 3.8 63.0 1.0 HB2 A:LEU260 3.8 86.0 1.0 HE3 A:LYS263 3.9 0.9 1.0 CA A:LEU260 3.9 68.5 1.0 HZ1 A:LYS263 4.0 98.3 1.0 C A:LYS259 4.0 69.7 1.0 HZ3 A:LYS263 4.0 98.3 1.0 HG2 A:PRO247 4.0 0.7 1.0 H A:LEU260 4.1 75.7 1.0 CE A:LYS263 4.1 86.5 1.0 HD3 A:LYS259 4.1 0.0 1.0 O A:LYS259 4.1 68.6 1.0 CD A:LYS263 4.1 69.3 1.0 CE A:LYS259 4.1 91.8 1.0 CB A:LYS259 4.2 84.1 1.0 CG A:LYS259 4.2 92.5 1.0 HD13 A:LEU260 4.3 0.8 1.0 HZ3 A:TRP252 4.4 0.1 1.0 CD A:LYS259 4.4 0.5 1.0 O A:ASP256 4.4 79.4 1.0 CB A:LEU260 4.4 71.6 1.0 HA A:LEU246 4.5 75.5 1.0 HG3 A:LYS263 4.5 85.2 1.0 HD12 A:LEU260 4.6 0.8 1.0 HE2 A:LYS259 4.7 0.2 1.0 CA A:LYS259 4.7 79.2 1.0 HD3 A:LYS263 4.8 83.2 1.0 HB2 A:LYS263 4.9 81.0 1.0 CD1 A:LEU260 4.9 84.0 1.0 HZ2 A:LYS259 4.9 0.5 1.0 CG A:LYS263 4.9 71.0 1.0 HB2 A:LYS259 4.9 0.9 1.0 N A:PRO247 5.0 70.2 1.0 O A:VAL245 5.0 71.2 1.0

Iodine binding site 6 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I612 b:1.0 occ:1.00 HE A:ARG199 2.8 0.8 1.0 HH21 A:ARG199 3.1 0.5 1.0 HA A:ARG199 3.2 74.5 1.0 NE A:ARG199 3.3 0.0 1.0 HG13 A:ILE202 3.3 75.7 1.0 HB3 A:ARG199 3.4 89.6 1.0 HG2 A:ARG199 3.5 0.9 1.0 NH2 A:ARG199 3.6 0.6 1.0 HG21 A:THR107 3.7 90.7 1.0 CZ A:ARG199 3.7 0.2 1.0 HB A:ILE202 3.8 59.9 1.0 HG21 A:ILE202 3.8 68.5 1.0 HD2 A:HIS198 3.9 70.4 1.0 CB A:ARG199 3.9 74.7 1.0 CA A:ARG199 4.0 62.1 1.0 CG A:ARG199 4.0 94.9 1.0 OG1 A:THR107 4.1 58.9 1.0 CG1 A:ILE202 4.1 63.1 1.0 HH22 A:ARG199 4.2 0.5 1.0 HG23 A:THR107 4.2 90.7 1.0 CD A:ARG199 4.2 97.9 1.0 HG12 A:ILE202 4.3 75.7 1.0 HE2 A:LYS220 4.3 0.4 1.0 CB A:ILE202 4.3 49.9 1.0 CG2 A:THR107 4.4 75.6 1.0 CG2 A:ILE202 4.5 57.0 1.0 HG1 A:THR107 4.6 70.7 1.0 HD3 A:ARG199 4.7 0.5 1.0 CD2 A:HIS198 4.7 58.6 1.0 HZ1 A:LYS220 4.7 0.6 1.0 HE2 A:HIS198 4.8 66.9 1.0 HB2 A:ARG199 4.8 89.6 1.0 CB A:THR107 4.8 61.2 1.0 O A:ARG199 4.9 67.0 1.0 NH1 A:ARG199 4.9 0.5 1.0 N A:ARG199 4.9 59.9 1.0 C A:ARG199 4.9 70.8 1.0 HG3 A:ARG199 5.0 0.9 1.0 HD2 A:ARG199 5.0 0.5 1.0 HG22 A:ILE202 5.0 68.5 1.0

Iodine binding site 7 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I613 b:0.5 occ:1.00 O A:ASP443 3.5 33.8 1.0 I A:IOD616 3.6 87.3 0.3 C A:LEU551 3.7 0.1 1.0 HB2 A:LEU551 3.7 0.9 1.0 HG13 A:VAL466 3.7 43.8 1.0 I A:IOD614 3.8 0.9 1.0 HA2 A:GLY444 3.8 55.7 1.0 HB3 A:ASP443 3.9 81.6 1.0 H A:GLY456 3.9 47.2 1.0 HB3 A:LYS454 3.9 50.3 1.0 HA A:ALA455 3.9 45.0 1.0 N A:GLY456 3.9 39.3 1.0 HG22 A:VAL466 4.0 44.2 1.0 HA3 A:GLY456 4.0 56.5 1.0 HB2 A:LYS454 4.0 50.3 1.0 C A:ALA455 4.1 38.1 1.0 C A:ASP443 4.1 60.6 1.0 O A:LEU551 4.3 0.2 1.0 HB3 A:LEU551 4.3 0.9 1.0 CB A:LEU551 4.3 0.9 1.0 CA A:ALA455 4.4 37.5 1.0 O A:LYS454 4.4 41.7 1.0 CA A:GLY456 4.4 47.1 1.0 CB A:LYS454 4.4 41.9 1.0 C A:LYS454 4.5 42.8 1.0 HA A:ASP549 4.5 0.4 1.0 H A:SER553 4.5 0.6 1.0 N A:ALA455 4.5 38.5 1.0 CA A:LEU551 4.5 0.2 1.0 N A:SER553 4.6 0.3 1.0 CG1 A:VAL466 4.6 36.5 1.0 CA A:GLY444 4.6 46.4 1.0 HG11 A:VAL466 4.6 43.8 1.0 N A:GLY444 4.7 34.6 1.0 O A:ALA455 4.7 36.8 1.0 CB A:ASP443 4.7 68.0 1.0 CG2 A:VAL466 4.8 36.9 1.0 HG21 A:VAL466 4.8 44.2 1.0 O A:ASP549 4.8 0.3 1.0 H A:LEU551 4.9 0.7 1.0 C A:GLY456 4.9 38.5 1.0 H A:ASP443 4.9 43.7 1.0 N A:LEU551 4.9 0.6 1.0 H A:ALA455 4.9 46.2 1.0 HD3 A:LYS454 4.9 56.1 1.0 CA A:ASP443 5.0 44.3 1.0 O A:GLY456 5.0 33.1 1.0

Iodine binding site 8 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I614 b:0.9 occ:1.00 HD12 A:LEU551 2.8 0.6 1.0 HB2 A:LEU551 3.0 0.9 1.0 HG13 A:VAL458 3.3 73.0 1.0 I A:IOD615 3.4 73.6 0.3 HA A:TYR457 3.6 40.5 1.0 N A:TYR457 3.7 39.2 1.0 CD1 A:LEU551 3.7 86.3 1.0 HG22 A:VAL466 3.8 44.2 1.0 I A:IOD613 3.8 0.5 1.0 C A:GLY456 3.8 38.5 1.0 HD13 A:LEU551 3.8 0.6 1.0 H A:TYR457 3.8 47.0 1.0 CB A:LEU551 3.9 0.9 1.0 HA3 A:GLY456 3.9 56.5 1.0 CA A:TYR457 3.9 33.8 1.0 C A:TYR457 4.0 37.5 1.0 O A:GLY456 4.1 33.1 1.0 HB3 A:LEU551 4.1 0.9 1.0 O A:TYR457 4.1 35.6 1.0 CG1 A:VAL458 4.2 60.9 1.0 CG A:LEU551 4.3 0.8 1.0 N A:ASP549 4.4 89.5 1.0 CA A:GLY456 4.4 47.1 1.0 HD11 A:LEU551 4.4 0.6 1.0 HB3 A:ASP443 4.4 81.6 1.0 HG22 A:VAL458 4.5 67.1 1.0 HG A:LEU551 4.5 0.2 1.0 N A:VAL458 4.5 39.9 1.0 HG11 A:VAL458 4.5 73.0 1.0 H A:VAL458 4.6 47.9 1.0 CG2 A:VAL466 4.6 36.9 1.0 H A:ASP443 4.6 43.7 1.0 O A:LYS465 4.6 37.3 1.0 H A:LEU551 4.6 0.7 1.0 HG12 A:VAL458 4.7 73.0 1.0 HG21 A:VAL466 4.7 44.2 1.0 HG23 A:VAL466 4.7 44.2 1.0 H A:ASP549 4.8 0.5 1.0 O A:TYR441 4.9 33.3 1.0 H A:GLY456 4.9 47.2 1.0 N A:GLY456 5.0 39.3 1.0

Iodine binding site 9 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I615 b:73.6 occ:0.35 HA A:ASN545 2.8 0.5 1.0 O A:GLY544 3.0 0.7 1.0 H A:ASP549 3.3 0.5 1.0 I A:IOD614 3.4 0.9 1.0 HB2 A:ASP443 3.4 81.6 1.0 HG22 A:VAL458 3.4 67.1 1.0 O A:TYR441 3.4 33.3 1.0 N A:ASP549 3.5 89.5 1.0 HB3 A:TYR441 3.7 42.0 1.0 CA A:ASN545 3.7 99.6 1.0 O A:ASN545 3.7 83.1 1.0 C A:GLY544 3.8 85.7 1.0 HB3 A:ASP443 3.8 81.6 1.0 C A:TYR441 3.9 36.9 1.0 HA A:TYR457 4.0 40.5 1.0 HB2 A:TYR441 4.0 42.0 1.0 C A:ASN545 4.0 94.5 1.0 CB A:ASP443 4.0 68.0 1.0 C A:VAL442 4.1 38.1 1.0 N A:ASN545 4.1 97.1 1.0 HA A:VAL442 4.1 41.4 1.0 H A:VAL458 4.2 47.9 1.0 O A:VAL442 4.2 34.9 1.0 N A:ASP443 4.2 36.4 1.0 CB A:TYR441 4.3 35.0 1.0 H A:ASP443 4.3 43.7 1.0 N A:VAL442 4.3 35.3 1.0 CG2 A:VAL458 4.3 56.0 1.0 HD22 A:ASN545 4.3 71.9 1.0 HG13 A:VAL458 4.4 73.0 1.0 CA A:VAL442 4.4 34.5 1.0 HG21 A:VAL458 4.5 67.1 1.0 ND2 A:ASN545 4.5 59.9 1.0 N A:VAL458 4.7 39.9 1.0 CA A:TYR441 4.7 36.1 1.0 CA A:ASP549 4.8 0.7 1.0 HA A:ASP549 4.8 0.4 1.0 CA A:ASP443 4.8 44.3 1.0 HG23 A:VAL458 4.8 67.1 1.0 CA A:TYR457 4.8 33.8 1.0 H A:VAL442 4.8 42.4 1.0 HD21 A:ASN545 4.8 71.9 1.0 CG A:ASN545 4.9 89.2 1.0 CB A:ASN545 4.9 94.0 1.0 H A:ASN545 4.9 0.5 1.0 CA A:GLY544 4.9 89.5 1.0 HA2 A:GLY544 5.0 0.5 1.0

Iodine binding site 10 out of 20 in the Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Hiv-1 Reverse Transcriptase Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I616 b:87.3 occ:0.34 HA A:ASP549 2.9 0.4 1.0 O A:ASP549 2.9 0.3 1.0 HB2 A:ALA445 3.1 75.2 1.0 N A:SER553 3.1 0.3 1.0 HB3 A:SER553 3.2 0.5 1.0 H A:SER553 3.2 0.6 1.0 HB3 A:ALA445 3.2 75.2 1.0 OD2 A:ASP443 3.5 68.9 1.0 I A:IOD613 3.6 0.5 1.0 CB A:ALA445 3.6 62.6 1.0 C A:GLY444 3.6 55.2 1.0 HB3 A:ASP443 3.7 81.6 1.0 C A:ASP549 3.7 0.2 1.0 CA A:ASP549 3.7 0.7 1.0 HA2 A:GLY444 3.7 55.7 1.0 N A:ALA445 3.7 44.5 1.0 O A:GLY444 3.8 53.0 1.0 CG A:ASP443 3.8 55.4 1.0 HA A:SER553 3.9 0.2 1.0 CA A:SER553 3.9 0.8 1.0 CB A:SER553 3.9 0.1 1.0 H A:ALA445 3.9 53.4 1.0 OD1 A:ASP549 3.9 0.5 1.0 CA A:GLY444 4.0 46.4 1.0 N A:GLY444 4.1 34.6 1.0 H A:GLY444 4.2 41.5 1.0 HG A:SER553 4.3 0.7 1.0 CB A:ASP443 4.3 68.0 1.0 CA A:ALA445 4.3 52.1 1.0 HB1 A:ALA445 4.4 75.2 1.0 OD1 A:ASP443 4.4 57.2 1.0 C A:ASP443 4.4 60.6 1.0 CG A:ASP549 4.5 0.2 1.0 CB A:ASP549 4.6 0.0 1.0 OG A:SER553 4.6 0.6 1.0 HB2 A:SER553 4.7 0.5 1.0 N A:ASP549 4.7 89.5 1.0 HB2 A:ASP549 4.7 0.0 1.0 O A:ASP443 4.8 33.8 1.0 HA A:ALA445 4.9 62.5 1.0 HB2 A:LYS454 4.9 50.3 1.0 HA3 A:GLY444 4.9 55.7 1.0 O A:LYS454 5.0 41.7 1.0 N A:LYS550 5.0 99.0 1.0

J.D.Bauman, J.J.E.K.Harrison, E.Arnold. Rapid Experimental Sad Phasing and Hot Spot Identification with Halogenated Fragments Iucrj V. 3 51 2016.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252515021259