7N6U
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
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 (A, B, C) | Envelope glycoprotein gp160 | polymer | 848 | 96488.4 | 3 | UniProt (Q75760) Pfam (PF00516) Pfam (PF00517) | Human immunodeficiency virus 1 | Env polyprotein |
| 2 | AA, D, DA, GA, HA... (a, D, d, g, h...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 21 | In PDB GlyTouCan (G42666HT) | |||
| 3 | BA, CA, E, F, H... (b, c, E, F, H...) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 18 | In PDB GlyTouCan (G15407YE) | |||
| 4 | G, LA, U, VA (G, l, U, v) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1235.1 | 4 | In PDB GlyTouCan (G07617FP) | |||
| 5 | EA, P, T (e, P, T) | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 3 | In PDB GlyTouCan (G81315DD) | |||
| 6 | FA, WA (f, w) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 2 | In PDB GlyTouCan (G21290RB) | |||
| 7 | AB, BB, CB, EB, GB... (A, B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 8 | DB, FB, HB (A, B, C) | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione | non-polymer | 406.4 | 3 | Chemie (83G) |
Sequence modifications
A, B, C: 1 - 856 (UniProt: Q75760)
| PDB | External Database | Details |
|---|---|---|
| - | Gly 5 | deletion |
| - | Ile 6 | deletion |
| - | Arg 7 | deletion |
| Glu 5 | Lys 8 | conflict |
| Lys 6 | Ser 9 | conflict |
| His 9 | Tyr 12 | conflict |
| Arg 12 | Lys 15 | conflict |
| Trp 13 | Gly 16 | conflict |
| Trp 15 | - | insertion |
| Arg 16 | - | insertion |
| Trp 17 | - | insertion |
| Gly 18 | - | insertion |
| Met 20 | Leu 19 | conflict |
| Met 24 | Ile 23 | conflict |
| Thr 31 | Val 30 | conflict |
| Ser 508 | Arg 499 | conflict |
| Ser 511 | Arg 502 | conflict |
| Ser 752 | Phe 743 | conflict |
| Asp 758 | Val 749 | conflict |
| Ile 777 | Thr 768 | conflict |
| Ala 792 | Val 783 | conflict |
| Val 829 | Ile 820 | conflict |
| Val 832 | Ala 823 | conflict |
| Val 833 | Leu 824 | conflict |
| Gly 835 | Arg 826 | conflict |
| Ala 836 | Thr 827 | conflict |
| Cys 837 | Tyr 828 | conflict |
| Arg 841 | Leu 832 | conflict |
| Arg 845 | Thr 836 | conflict |
| Ile 854 | Ala 845 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 289465.2 | |
| Branched | Number of molecules | 48 |
| Total formula weight | 27797.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2546.6 | |
| All* | Total formula weight | 319809.5 |
