Bromine in PDB 5cyq: Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole

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

The structure of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole, PDB code: 5cyq 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)	39.75 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.887, 73.167, 108.894, 90.00, 100.56, 90.00
R / Rfree (%)	20.3 / 22.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Bromine atom in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole (pdb code 5cyq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 18 binding sites of Bromine where determined in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole, PDB code: 5cyq:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:0.4 occ:0.79 BR4 A:BYZ602 0.0 0.4 0.8 C4 A:BYZ602 2.0 0.6 0.8 HG22 A:VAL118 2.7 45.3 1.0 HB2 A:SER163 2.8 41.2 1.0 C3 A:BYZ602 2.9 0.0 0.8 C5 A:BYZ602 3.0 0.1 0.8 HB3 A:SER163 3.0 41.2 1.0 H3 A:BYZ602 3.2 0.6 0.8 HD1 A:PHE160 3.2 75.9 1.0 HG21 A:VAL118 3.2 45.3 1.0 HE1 A:PHE160 3.3 78.5 1.0 H1 A:BYZ602 3.3 0.7 0.8 CG2 A:VAL118 3.4 37.7 1.0 CB A:SER163 3.4 34.4 1.0 HB2 A:MET164 3.5 39.9 1.0 CD1 A:PHE160 3.6 63.3 1.0 HG23 A:VAL118 3.6 45.3 1.0 N A:MET164 3.7 33.2 1.0 CE1 A:PHE160 3.7 65.4 1.0 H A:MET164 3.7 39.8 1.0 HA A:MET164 3.7 38.3 1.0 HD12 A:ILE167 3.8 62.2 1.0 C A:SER163 3.8 33.4 1.0 HD13 A:ILE5 3.8 0.8 1.0 O A:PHE160 3.8 36.4 1.0 HA A:PHE160 4.0 50.4 1.0 N2 A:BYZ602 4.1 0.6 0.8 N1 A:BYZ602 4.1 0.6 0.8 CA A:MET164 4.1 31.9 1.0 HE2 A:MET164 4.2 56.4 1.0 CA A:SER163 4.2 33.6 1.0 O A:SER163 4.3 35.4 1.0 CB A:MET164 4.3 33.3 1.0 HD11 A:ILE167 4.5 62.2 1.0 OG A:SER163 4.5 37.0 1.0 HB1 A:ALA114 4.5 95.2 1.0 CD1 A:ILE167 4.5 51.8 1.0 HG13 A:VAL118 4.6 44.1 1.0 HG21 A:ILE5 4.6 94.3 1.0 CD1 A:ILE5 4.7 84.0 1.0 CB A:VAL118 4.7 38.3 1.0 C A:PHE160 4.7 40.5 1.0 CG A:PHE160 4.7 58.0 1.0 HD11 A:ILE5 4.7 0.8 1.0 CZ A:PHE160 4.8 67.0 1.0 CA A:PHE160 4.8 42.0 1.0 HG11 A:VAL118 4.8 44.1 1.0 H A:SER163 4.8 41.3 1.0 HB3 A:MET164 4.9 39.9 1.0 HG A:SER163 4.9 44.4 1.0 CE A:MET164 4.9 47.0 1.0 HA A:SER163 4.9 40.4 1.0 HD13 A:ILE167 4.9 62.2 1.0 CG1 A:VAL118 4.9 36.7 1.0 HA A:VAL118 5.0 48.0 1.0

Bromine binding site 2 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:75.8 occ:0.95 BR4 A:BYZ603 0.0 75.8 0.9 C4 A:BYZ603 2.0 73.9 0.9 C3 A:BYZ603 3.0 73.5 0.9 C5 A:BYZ603 3.0 72.7 0.9 HD12 A:LEU168 3.1 47.4 1.0 HA A:THR165 3.2 40.9 1.0 HG2 B:PRO140 3.2 60.3 1.0 H3 A:BYZ603 3.2 88.2 0.9 H1 A:BYZ603 3.3 87.2 0.9 HD3 B:PRO140 3.4 57.3 1.0 HB2 A:LEU168 3.5 44.8 1.0 HD2 B:PRO140 3.6 57.3 1.0 HG23 A:THR165 3.6 35.7 1.0 CD B:PRO140 3.7 47.8 1.0 CG B:PRO140 3.7 50.3 1.0 HD13 A:LEU168 3.8 47.4 1.0 OG1 A:THR165 3.8 33.8 1.0 HG3 B:PRO140 3.9 60.3 1.0 CD1 A:LEU168 3.9 39.5 1.0 N1 A:BYZ603 4.1 73.0 0.9 CA A:THR165 4.1 34.1 1.0 HG1 A:THR165 4.1 40.5 1.0 N2 A:BYZ603 4.1 73.0 0.9 HB3 A:LEU168 4.2 44.8 1.0 CB A:LEU168 4.2 37.3 1.0 CB A:THR165 4.3 31.3 1.0 CG2 A:THR165 4.4 29.8 1.0 HD11 A:LEU168 4.6 47.4 1.0 CG A:LEU168 4.7 37.8 1.0 HG22 A:ILE180 4.8 45.5 1.0 O A:THR165 4.9 33.5 1.0 N A:THR165 4.9 32.7 1.0 HG21 A:THR165 4.9 35.7 1.0 HB A:ILE180 5.0 46.1 1.0

Bromine binding site 3 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:0.3 occ:1.00 BR4 A:BYZ604 0.0 0.3 1.0 C4 A:BYZ604 2.0 0.9 1.0 C5 A:BYZ604 3.0 0.6 1.0 C3 A:BYZ604 3.0 0.6 1.0 H3 A:BYZ604 3.2 0.9 1.0 H1 A:BYZ604 3.3 0.9 1.0 HG3 B:PRO140 3.4 60.3 1.0 HD3 B:PRO140 3.4 57.3 1.0 HE1 A:TYR181 3.6 48.6 1.0 HA B:PRO140 3.8 50.1 1.0 N B:PRO140 3.9 43.9 1.0 CD B:PRO140 3.9 47.8 1.0 HA B:THR139 4.0 48.9 1.0 CG B:PRO140 4.1 50.3 1.0 N1 A:BYZ604 4.1 0.1 1.0 C B:THR139 4.1 42.1 1.0 N2 A:BYZ604 4.1 0.1 1.0 O B:ASN137 4.1 34.8 1.0 CA B:PRO140 4.3 41.8 1.0 CE1 A:TYR181 4.3 40.5 1.0 HD1 A:TYR181 4.3 47.2 1.0 O B:GLU138 4.3 35.1 1.0 HA A:GLN91 4.4 0.2 1.0 CA B:THR139 4.5 40.8 1.0 O B:THR139 4.5 43.1 1.0 CD1 A:TYR181 4.6 39.3 1.0 C B:GLU138 4.7 38.4 1.0 CB B:PRO140 4.7 46.6 1.0 O A:GLN91 4.8 0.5 1.0 HB3 B:PRO140 4.8 55.9 1.0 N B:THR139 4.8 39.9 1.0 HG2 B:PRO140 4.8 60.3 1.0 O A:VAL90 4.9 0.6 1.0 HD2 B:PRO140 4.9 57.3 1.0

Bromine binding site 4 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:0.6 occ:1.00 BR4 A:BYZ605 0.0 0.6 1.0 C4 A:BYZ605 2.0 0.3 1.0 C5 A:BYZ605 3.0 0.8 1.0 C3 A:BYZ605 3.0 0.9 1.0 HG22 A:THR362 3.4 46.3 1.0 HG2 A:GLU514 3.5 0.5 1.0 HG2 A:LYS512 3.6 98.2 1.0 HG3 A:GLU514 3.6 0.5 1.0 HA A:SER513 3.8 47.0 1.0 HD2 A:ARG356 3.8 65.3 1.0 NH1 A:ARG356 3.8 57.2 1.0 HH11 A:ARG356 3.9 68.7 1.0 HG21 A:THR362 3.9 46.3 1.0 C A:SER513 3.9 43.1 1.0 CZ A:ARG356 4.0 59.7 1.0 N A:GLU514 4.0 48.6 1.0 CG A:GLU514 4.0 97.0 1.0 HH12 A:ARG356 4.0 68.7 1.0 N1 A:BYZ605 4.1 0.7 1.0 N2 A:BYZ605 4.1 0.8 1.0 CG2 A:THR362 4.1 38.6 1.0 H A:GLU514 4.1 58.3 1.0 HE2 A:LYS512 4.2 0.6 1.0 CA A:SER513 4.2 39.2 1.0 O A:SER513 4.2 41.5 1.0 N A:SER513 4.2 37.5 1.0 NE A:ARG356 4.3 59.9 1.0 HA A:GLU514 4.3 69.5 1.0 HD3 A:LYS512 4.4 0.3 1.0 HB3 A:LYS512 4.4 75.6 1.0 CG A:LYS512 4.4 81.8 1.0 C A:LYS512 4.5 40.9 1.0 O A:LYS512 4.5 39.2 1.0 H A:SER513 4.5 45.0 1.0 CD A:ARG356 4.5 54.4 1.0 NH2 A:ARG356 4.5 61.2 1.0 O A:GLY359 4.6 63.1 1.0 O A:ALA360 4.6 60.7 1.0 HG23 A:THR362 4.6 46.3 1.0 CA A:GLU514 4.6 57.9 1.0 HH22 A:ARG356 4.7 73.5 1.0 HA A:HIS361 4.7 63.0 1.0 HE A:ARG356 4.7 71.8 1.0 CD A:LYS512 4.8 0.1 1.0 HD3 A:ARG356 4.8 65.3 1.0 CB A:LYS512 4.9 63.0 1.0 CE A:LYS512 4.9 0.3 1.0 HH21 A:ARG356 4.9 73.5 1.0 CB A:GLU514 5.0 76.6 1.0

Bromine binding site 5 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br606 b:0.8 occ:1.00 BR4 A:BYZ606 0.0 0.8 1.0 C4 A:BYZ606 2.0 0.1 1.0 C5 A:BYZ606 3.0 0.2 1.0 C3 A:BYZ606 3.0 0.2 1.0 HB3 A:ASN57 3.1 46.9 1.0 HB2 A:ASN57 3.5 46.9 1.0 O A:VAL21 3.7 46.6 1.0 CB A:ASN57 3.7 39.1 1.0 HA A:LYS22 3.9 70.0 1.0 HB3 A:LYS20 3.9 67.9 1.0 HA A:LYS20 4.0 59.0 1.0 C A:VAL21 4.0 48.0 1.0 C A:LYS20 4.0 49.0 1.0 N A:VAL21 4.0 47.7 1.0 HD22 A:ASN57 4.1 51.1 1.0 N1 A:BYZ606 4.1 0.3 1.0 N2 A:BYZ606 4.1 0.3 1.0 H A:VAL21 4.1 57.2 1.0 O A:LYS20 4.3 49.4 1.0 CA A:LYS20 4.4 49.2 1.0 CG A:ASN57 4.5 38.5 1.0 N A:LYS22 4.5 52.4 1.0 ND2 A:ASN57 4.5 42.5 1.0 CB A:LYS20 4.6 56.5 1.0 CA A:VAL21 4.6 48.5 1.0 CA A:LYS22 4.6 58.3 1.0 HA A:VAL21 4.9 58.2 1.0 CA A:ASN57 5.0 38.3 1.0 O A:PRO55 5.0 42.3 1.0 H A:GLN23 5.0 64.3 1.0

Bromine binding site 6 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br607 b:0.8 occ:1.00 BR4 A:BYZ607 0.0 0.8 1.0 C4 A:BYZ607 2.0 0.2 1.0 C3 A:BYZ607 3.0 0.5 1.0 C5 A:BYZ607 3.0 0.4 1.0 HB3 A:LEU452 3.1 63.7 1.0 O A:GLY453 3.1 35.7 1.0 HG3 A:LYS454 3.3 37.9 1.0 HE3 A:LYS454 3.6 49.8 1.0 H A:GLY453 3.7 46.8 1.0 HG2 A:LYS454 3.7 37.9 1.0 C A:GLY453 3.8 38.1 1.0 N A:GLY453 3.8 39.0 1.0 H A:LEU469 3.9 42.9 1.0 CG A:LYS454 4.0 31.6 1.0 CB A:LEU452 4.0 53.1 1.0 HB3 A:PRO468 4.0 39.3 1.0 HE2 A:LYS454 4.0 49.8 1.0 HA A:PRO468 4.0 38.7 1.0 N1 A:BYZ607 4.1 0.6 1.0 N2 A:BYZ607 4.1 0.7 1.0 HB2 A:PRO468 4.1 39.3 1.0 HB2 A:LEU452 4.2 63.7 1.0 HD13 A:LEU452 4.2 76.7 1.0 CA A:GLY453 4.2 41.0 1.0 CE A:LYS454 4.2 41.5 1.0 HA2 A:GLY453 4.2 49.2 1.0 C A:LEU452 4.3 43.2 1.0 O A:LEU469 4.4 43.6 1.0 CB A:PRO468 4.4 32.8 1.0 HD22 A:LEU452 4.5 73.9 1.0 N A:LEU469 4.6 35.7 1.0 CA A:PRO468 4.6 32.3 1.0 CA A:LEU452 4.7 47.4 1.0 CD A:LYS454 4.7 34.9 1.0 N A:LYS454 4.8 32.5 1.0 HA A:LEU452 4.9 56.9 1.0 CD1 A:LEU452 4.9 64.0 1.0 O A:LEU452 4.9 43.8 1.0 CG A:LEU452 4.9 61.1 1.0

Bromine binding site 7 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br608 b:93.5 occ:1.00 BR4 A:BYZ608 0.0 93.5 1.0 C4 A:BYZ608 2.0 93.4 1.0 C5 A:BYZ608 3.0 93.5 1.0 C3 A:BYZ608 3.0 93.1 1.0 H3 A:BYZ608 3.2 0.7 1.0 H1 A:BYZ608 3.3 0.2 1.0 O A:ASP443 3.5 27.5 1.0 HA2 A:GLY444 3.7 35.5 1.0 HG13 A:VAL466 3.7 31.5 1.0 HB3 A:LYS454 3.7 35.3 1.0 HB3 A:ASP443 3.7 44.6 1.0 HB2 A:LYS454 3.8 35.3 1.0 HA A:ALA455 3.9 31.7 1.0 H1 A:BYZ609 4.0 0.5 1.0 H A:GLY456 4.0 32.2 1.0 N A:GLY456 4.0 26.8 1.0 HA3 A:GLY456 4.1 37.2 1.0 HG22 A:VAL466 4.1 37.3 1.0 N1 A:BYZ608 4.1 93.6 1.0 C A:ASP443 4.1 31.5 1.0 N2 A:BYZ608 4.1 93.4 1.0 BR4 A:BYZ609 4.2 0.1 1.0 C A:ALA455 4.2 25.2 1.0 CB A:LYS454 4.2 29.4 1.0 O A:LYS454 4.3 31.2 1.0 C A:LYS454 4.3 30.3 1.0 CA A:ALA455 4.4 26.4 1.0 N A:ALA455 4.5 26.1 1.0 CA A:GLY444 4.5 29.6 1.0 CG1 A:VAL466 4.5 26.3 1.0 HG11 A:VAL466 4.5 31.5 1.0 C5 A:BYZ609 4.5 0.2 1.0 CA A:GLY456 4.5 31.0 1.0 N A:GLY444 4.6 31.8 1.0 CB A:ASP443 4.6 37.2 1.0 C4 A:BYZ609 4.7 0.1 1.0 O A:ALA455 4.7 28.4 1.0 HD3 A:LYS454 4.8 41.9 1.0 HG21 A:VAL466 4.8 37.3 1.0 CG2 A:VAL466 4.8 31.1 1.0 H A:ALA455 4.9 31.4 1.0 CA A:ASP443 4.9 29.1 1.0 H A:ASP443 5.0 30.8 1.0 CA A:LYS454 5.0 31.7 1.0 HD2 A:LYS454 5.0 41.9 1.0

Bromine binding site 8 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:0.1 occ:1.00 BR4 A:BYZ609 0.0 0.1 1.0 C4 A:BYZ609 2.0 0.1 1.0 C5 A:BYZ609 3.0 0.2 1.0 C3 A:BYZ609 3.0 0.0 1.0 HG13 A:VAL458 3.1 36.8 1.0 HA A:TYR457 3.1 32.6 1.0 H3 A:BYZ609 3.2 0.2 1.0 N A:TYR457 3.2 27.6 1.0 H1 A:BYZ609 3.2 0.5 1.0 C A:GLY456 3.4 28.9 1.0 CA A:TYR457 3.4 27.2 1.0 H A:TYR457 3.5 33.1 1.0 C A:TYR457 3.5 31.0 1.0 HA3 A:GLY456 3.7 37.2 1.0 O A:GLY456 3.7 24.8 1.0 O A:TYR457 3.8 30.9 1.0 HG22 A:VAL466 3.9 37.3 1.0 N A:VAL458 4.0 29.3 1.0 CG1 A:VAL458 4.0 30.7 1.0 N1 A:BYZ609 4.1 0.3 1.0 H A:VAL458 4.1 35.1 1.0 CA A:GLY456 4.1 31.0 1.0 N2 A:BYZ609 4.1 0.2 1.0 HB3 A:ASP443 4.1 44.6 1.0 BR4 A:BYZ608 4.2 93.5 1.0 H A:ASP443 4.2 30.8 1.0 HG22 A:VAL458 4.4 34.6 1.0 HG11 A:VAL458 4.4 36.8 1.0 HG12 A:VAL458 4.4 36.8 1.0 O A:TYR441 4.4 25.6 1.0 O A:LYS465 4.5 34.9 1.0 HA A:VAL442 4.5 33.3 1.0 N A:ASP443 4.7 25.7 1.0 CG2 A:VAL466 4.7 31.1 1.0 HB2 A:ASP443 4.8 44.6 1.0 H A:GLY456 4.8 32.2 1.0 N A:GLY456 4.8 26.8 1.0 HG23 A:VAL466 4.8 37.3 1.0 CB A:ASP443 4.8 37.2 1.0 HA2 A:GLY456 4.9 37.2 1.0 HG21 A:VAL466 4.9 37.3 1.0 CB A:TYR457 4.9 23.9 1.0 CB A:VAL458 4.9 25.8 1.0 O A:ASP443 4.9 27.5 1.0

Bromine binding site 9 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br614 b:0.7 occ:1.00 HB3 A:LYS388 2.8 66.5 1.0 HE2 A:LYS390 2.8 94.6 1.0 HG3 A:GLU415 3.1 64.8 1.0 O A:HOH777 3.2 58.2 1.0 HB2 A:GLU415 3.2 46.0 1.0 O A:PHE389 3.4 25.3 1.0 HE2 A:LYS388 3.4 0.9 1.0 CB A:LYS388 3.6 55.4 1.0 HB2 A:LYS388 3.6 66.5 1.0 HG2 A:LYS390 3.6 51.2 1.0 CE A:LYS390 3.7 78.8 1.0 HD3 A:LYS390 3.7 74.9 1.0 CG A:GLU415 3.7 54.0 1.0 HD2 A:LYS388 3.8 0.1 1.0 H A:GLU415 3.8 30.6 1.0 OE1 A:GLU415 3.8 68.4 1.0 HZ3 A:LYS390 3.8 0.5 1.0 CD A:GLU415 3.9 65.1 1.0 CB A:GLU415 3.9 38.3 1.0 HA A:TRP414 3.9 30.8 1.0 CD A:LYS390 4.1 62.4 1.0 C A:PHE389 4.1 24.0 1.0 N A:GLU415 4.1 25.5 1.0 CE A:LYS388 4.1 0.6 1.0 HD12 A:ILE326 4.2 46.1 1.0 NZ A:LYS390 4.2 85.5 1.0 N A:PHE389 4.2 27.8 1.0 H A:PHE389 4.2 33.4 1.0 C A:LYS388 4.2 31.6 1.0 HE3 A:LYS388 4.3 0.9 1.0 CD A:LYS388 4.3 0.9 1.0 HZ1 A:LYS390 4.3 0.5 1.0 HG23 A:ILE326 4.4 35.8 1.0 CG A:LYS390 4.4 42.6 1.0 HE3 A:LYS390 4.4 94.6 1.0 CA A:LYS388 4.5 37.8 1.0 O A:LYS388 4.5 31.6 1.0 C A:TRP414 4.6 26.3 1.0 CG A:LYS388 4.6 77.5 1.0 HG2 A:GLU415 4.6 64.8 1.0 HG2 A:GLU413 4.7 31.8 1.0 CA A:GLU415 4.7 28.0 1.0 OE2 A:GLU415 4.7 68.2 1.0 HB3 A:GLU415 4.7 46.0 1.0 CA A:TRP414 4.7 25.6 1.0 HA A:LYS390 4.7 31.2 1.0 CA A:PHE389 4.8 25.5 1.0 HA A:LYS388 4.8 45.4 1.0 N A:LYS390 4.8 24.0 1.0 HG3 A:LYS390 4.9 51.2 1.0

Bromine binding site 10 out of 18 in the Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Hiv-1 Reverse Transcriptase Complexed with 4-Bromopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Br615 b:0.5 occ:1.00 HB2 A:GLN242 2.8 60.9 1.0 HD1 A:TRP266 3.2 47.2 1.0 HD13 A:ILE244 3.3 59.8 1.0 O A:GLN242 3.4 43.4 1.0 HE1 A:TRP266 3.4 48.3 1.0 HD11 A:ILE244 3.6 59.8 1.0 CD1 A:TRP266 3.6 39.4 1.0 CB A:GLN242 3.7 50.7 1.0 H A:GLN242 3.7 53.0 1.0 NE1 A:TRP266 3.8 40.2 1.0 C A:GLN242 3.8 45.9 1.0 CD1 A:ILE244 3.9 49.8 1.0 HB3 A:GLN242 3.9 60.9 1.0 O A:PRO243 4.0 50.8 1.0 O A:GLY231 4.0 42.7 1.0 CA A:GLN242 4.0 46.5 1.0 N A:GLN242 4.1 44.2 1.0 HB A:VAL241 4.2 42.9 1.0 HA2 A:GLY231 4.3 44.2 1.0 HD12 A:ILE244 4.5 59.8 1.0 HG12 A:ILE244 4.7 61.5 1.0 C A:PRO243 4.7 49.6 1.0 N A:PRO243 4.7 47.9 1.0 HA3 A:GLY231 4.8 44.2 1.0 CG A:TRP266 4.8 39.2 1.0 CG A:GLN242 4.8 53.2 1.0 C A:GLY231 4.9 40.0 1.0 CA A:GLY231 4.9 36.9 1.0 HA A:ILE244 4.9 63.6 1.0 CG1 A:ILE244 4.9 51.2 1.0 OE1 A:GLN242 4.9 60.3 1.0 CE2 A:TRP266 4.9 38.8 1.0

J.D.Bauman, J.J.Harrison, E.Arnold. Rapid Experimental Sad Phasing and Hot-Spot Identification with Halogenated Fragments. Iucrj V. 3 51 2016.
ISSN: ESSN 2052-2525
PubMed: 26870381
DOI: 10.1107/S2052252515021259