5U7O
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Envelope glycoprotein gp160 | polymer | 153 | 17146.5 | 1 | UniProt (Q2N0S5) Pfam (PF00517) | Human immunodeficiency virus 1 | |
| 2 | B (D) | 35O22 FAB HEAVY CHAIN | polymer | 243 | 26170.5 | 1 | Homo sapiens (Human) | ||
| 3 | C (E) | 35O22 FAB LIGHT CHAIN | polymer | 216 | 23318.8 | 1 | Homo sapiens (Human) | ||
| 4 | D (G) | Envelope glycoprotein gp160 | polymer | 481 | 54064.3 | 1 | UniProt (Q2N0S5) Pfam (PF00516) | Human immunodeficiency virus 1 | |
| 5 | E (H) | PGT122 FAB HEAVY CHAIN | polymer | 235 | 25434.7 | 1 | Homo sapiens (Human) | ||
| 6 | F (L) | PGT122 FAB LIGHT CHAIN | polymer | 213 | 22880.3 | 1 | Homo sapiens (Human) | ||
| 7 | G (A) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[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 | 1235.1 | 1 | In PDB GlyTouCan (G55220VL) | |||
| 8 | H (C) | 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 | 1 | In PDB GlyTouCan (G81315DD) | |||
| 9 | I (F) | 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 | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 10 | J, K, L, N, O... (I, J, K, N, O...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 8 | In PDB GlyTouCan (G42666HT) | |||
| 11 | M (M) | alpha-D-mannopyranose-(1-2)-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 | 1073.0 | 1 | In PDB GlyTouCan (G56014GC) | |||
| 12 | P (P) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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 | 1721.5 | 1 | In PDB GlyTouCan (G91704UR) | |||
| 13 | T (T) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 14 | AA, HA, U, Y, Z (G, L, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 15 | BA, CA, DA, EA, GA... (G, H, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) | |||
| 16 | FA (G) | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione | non-polymer | 473.5 | 1 | Chemie (83J) |
Sequence modifications
B: 512 - 664 (UniProt: Q2N0S5)
G: 31 - 513 (UniProt: Q2N0S5)
| PDB | External Database | Details |
|---|---|---|
| Pro 559 | Ile 556 | engineered mutation |
| Cys 605 | Thr 602 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asn 332 | Thr 330 | engineered mutation |
| Cys 501 | Ala 498 | engineered mutation |
| Arg 509 | Glu 506 | engineered mutation |
| Arg 510 | Lys 507 | engineered mutation |
| Arg 512 | Ala 509 | engineered mutation |
| Arg 513 | Val 510 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 169015.1 | |
| Branched | Number of molecules | 14 |
| Total formula weight | 9670.9 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2723.5 | |
| All* | Total formula weight | 181409.4 |
