3KLE
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, E, I, M | Reverse transcriptase/ribonuclease H | polymer | 562 | 64762.3 | 4 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | Human immunodeficiency virus type 1 (HIV-1) | p66 RT |
| 2 | B, F, J, N | p51 RT | polymer | 437 | 51120.6 | 4 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus type 1 (HIV-1) | |
| 3 | C, G, K, O | DNA (25-MER) | polymer | 27 | 8367.4 | 4 | |||
| 4 | D, H, L, P | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3') | polymer | 21 | 6458.3 | 4 | |||
| 5 | Q | alpha-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900032) | surcrose isoform | ||
| 6 | I, M, A, E | MAGNESIUM ION | non-polymer | 24.3 | 8 | Chemie (MG) | |||
| 7 | I, M, A, E | [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate | non-polymer | 836.4 | 4 | Chemie (ZP4) | |||
| 8 | B, F | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | water | water | 18.0 | 93 | Chemie (HOH) |
Sequence modifications
A, E, I, M: 1 - 560 (UniProt: P03366)
B, F, J, N: 1 - 428 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | expression tag |
| Val 0 | - | expression tag |
| Leu 41 | Met 640 | engineered mutation |
| Asn 67 | Asp 666 | engineered mutation |
| Arg 70 | Lys 669 | engineered mutation |
| Tyr 215 | Thr 814 | engineered mutation |
| Gln 219 | Lys 818 | engineered mutation |
| Cys 258 | Gln 857 | engineered mutation |
| Ser 280 | Cys 879 | engineered mutation |
| Val 559 | Ile 1158 | see remark 999 |
| PDB | External Database | Details |
|---|---|---|
| Ser 280 | Cys 879 | engineered mutation |
| Gly 429 | - | expression tag |
| Gly 430 | - | expression tag |
| His 431 | - | expression tag |
| His 432 | - | expression tag |
| His 433 | - | expression tag |
| His 434 | - | expression tag |
| His 435 | - | expression tag |
| His 436 | - | expression tag |
| His 437 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 16 |
| Total formula weight | 522834.1 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 3724.2 | |
| All* | Total formula weight | 526900.6 |
