Table II.
Summary of the PDB Structures that were Used in all Analyses
| PDB Code | Group | Mutation | Drug | Class | Resolution(Å) |
|---|---|---|---|---|---|
| 1DLO | a | A172K | n/l | Apo | 2.70 |
| 1HMV | a | n/p | n/l | Apo | 3.20 |
| 1HQE | a | K103N | n/l | Apo | 2.70 |
| 1QE1 | a | M184I | n/l | Apo | 2.85 |
| 1N6Q | b | n/p | n/l | DNA Bound | 3.00 |
| 1RTD | b | n/p | n/l | DNA Bound | 3.20 |
| 2HMI | b | n/p | n/l | DNA Bound | 2.80 |
| 1RTH | c | n/p | 1051U91 | 1051U91 | 2.20 |
| 1JLQ | c | n/p | 739W94 | 739W94 | 3.00 |
| 1VRU | c | n/p | Alpha-Apa | Alpha-Apa | 2.40 |
| 1EP4 | c | n/p | Capravirine | Capravirine | 2.50 |
| 2ZD1 | c | n/p | Rilpivirine | DAPY | 1.80 |
| 2ZE2 | c | L100I/K103N | Rilpivirine | DAPY | 2.90 |
| 3BGR | c | K103N/Y181C | Rilpivirine | DAPY | 2.10 |
| 1KLM | c | n/p | Delavirdine | Delavirdine | 2.65 |
| 1FK9 | c | n/p | Efavirenz | Efavirenz | 2.50 |
| 1FKO | c | K103N | Efavirenz | Efavirenz | 2.90 |
| 1IKW | c | n/p | Efavirenz | Efavirenz | 3.00 |
| 1JKH | c | Y181C | Efavirenz | Efavirenz | 2.50 |
| 1BQM | c | n/p | HBY097 | HBY097 | 3.10 |
| 1C1C | c | n/p | TNK6123 | HEPT | 2.50 |
| 1JLA | c | Y181C | TNK651 | HEPT | 2.50 |
| 1RT1 | c | n/p | MKC442 | HEPT | 2.55 |
| 1RT2 | c | n/p | TNK651 | HEPT | 2.55 |
| 1RTI | c | n/p | HEPT | HEPT | 3.00 |
| 1FKP | c | K103N | Nevirapine | Nevirapine | 2.90 |
| 1JLB | c | Y181C | Nevirapine | Nevirapine | 3.00 |
| 1JLF | c | Y188C | Nevirapine | Nevirapine | 2.60 |
| 1S1U | c | L100I | Nevirapine | Nevirapine | 3.00 |
| 1S1X | c | V108I | Nevirapine | Nevirapine | 2.80 |
| 1VRT | c | n/p | Nevirapine | Nevirapine | 2.20 |
| 2HND | c | K101E | Nevirapine | Nevirapine | 2.50 |
| 2HNY | c | E138K | Nevirapine | Nevirapine | 2.50 |
| 1DTQ | c | n/p | PETT1 | PETT | 2.80 |
| 1DTT | c | n/p | PETT2 | PETT | 3.00 |
| 1JLC | c | Y181C | PETT2 | PETT | 3.00 |
| 1HNV | c | n/p | 8TIBO | TIBO | 3.00 |
| 1REV | c | n/p | 9TIBO | TIBO | 2.60 |
| 1TVR | c | n/p | 9TIBO | TIBO | 3.00 |
| 1UWB | c | Y181C | 8TIBO | TIBO | 3.20 |
| 1JLG | c | Y188C | UC781 | UC | 2.60 |
| 1RT4 | c | n/p | UC781 | UC | 2.90 |
| 1RT5 | c | n/p | UC10 | UC | 2.90 |
| 1RT6 | c | n/p | UC38 | UC | 2.80 |
| 1RT7 | c | n/p | UC84 | UC | 3.00 |
| 1S1T | c | L100I | UC781 | UC | 2.40 |
| 1S1W | c | V106A | UC781 | UC | 2.70 |
The table shows a summary of the PDB structures that were used in the analyses. All structures were subdivided into three groups: a, which contained apo-enzymes, b, which contained apo enzymes bound to a DNA fragment, and c, which contained NNRTI bound structures. Furthermore, mutations present in the NNRTI binding pocket were identified, if none were present “n/p” was used. Structures marked with “n/l” did not contain an NNRTI. Finally, all NNRTIs were subdivided into 13 classes as shown in the table.