9Q57
XZ440 integrase inhibitor bound to Wild-type HIV-1 intasome
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, F (A, C, D, B) | Integrase | polymer | 363 | 40149.9 | 4 | UniProt (P12497) | HIV-1 06TG.HT008 | IN |
| 2 | D (F) | DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*C)-3') | polymer | 19 | 5795.8 | 1 | HIV-1 06TG.HT008 | ||
| 3 | E (E) | DNA (5'-D(P*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3') | polymer | 17 | 5220.4 | 1 | HIV-1 06TG.HT008 | ||
| 4 | G, H (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, K (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | J (E) | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide | non-polymer | 377.3 | 1 | Chemie (R7K) | |||
| 7 | L, M, N, O, P (A, C, D, F, E) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
A, C, D, B: 1 - 288 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Met -74 | - | initiating methionine |
| Ala -73 | - | expression tag |
| Thr -72 | - | expression tag |
| Val -71 | - | expression tag |
| Lys -70 | - | expression tag |
| Phe -69 | - | expression tag |
| Lys -68 | - | expression tag |
| Tyr -67 | - | expression tag |
| Lys -66 | - | expression tag |
| Gly -65 | - | expression tag |
| Glu -64 | - | expression tag |
| Glu -63 | - | expression tag |
| Lys -62 | - | expression tag |
| Glu -61 | - | expression tag |
| Val -60 | - | expression tag |
| Asp -59 | - | expression tag |
| Ile -58 | - | expression tag |
| Ser -57 | - | expression tag |
| Lys -56 | - | expression tag |
| Ile -55 | - | expression tag |
| Lys -54 | - | expression tag |
| Lys -53 | - | expression tag |
| Val -52 | - | expression tag |
| Trp -51 | - | expression tag |
| Arg -50 | - | expression tag |
| Val -49 | - | expression tag |
| Gly -48 | - | expression tag |
| Lys -47 | - | expression tag |
| Met -46 | - | expression tag |
| Ile -45 | - | expression tag |
| Ser -44 | - | expression tag |
| Phe -43 | - | expression tag |
| Thr -42 | - | expression tag |
| Tyr -41 | - | expression tag |
| Asp -40 | - | expression tag |
| Glu -39 | - | expression tag |
| Gly -38 | - | expression tag |
| Gly -37 | - | expression tag |
| Gly -36 | - | expression tag |
| Lys -35 | - | expression tag |
| Thr -34 | - | expression tag |
| Gly -33 | - | expression tag |
| Arg -32 | - | expression tag |
| Gly -31 | - | expression tag |
| Ala -30 | - | expression tag |
| Val -29 | - | expression tag |
| Ser -28 | - | expression tag |
| Glu -27 | - | expression tag |
| Lys -26 | - | expression tag |
| Asp -25 | - | expression tag |
| Ala -24 | - | expression tag |
| Pro -23 | - | expression tag |
| Lys -22 | - | expression tag |
| Glu -21 | - | expression tag |
| Leu -20 | - | expression tag |
| Leu -19 | - | expression tag |
| Gln -18 | - | expression tag |
| Met -17 | - | expression tag |
| Leu -16 | - | expression tag |
| Glu -15 | - | expression tag |
| Lys -14 | - | expression tag |
| Gln -13 | - | expression tag |
| Lys -12 | - | expression tag |
| Lys -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Gly -9 | - | expression tag |
| Gly -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Gly -6 | - | expression tag |
| Gly -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 171615.8 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 556.7 | |
| All* | Total formula weight | 172172.5 |
