6MTJ
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 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 (Q2N0S6) Pfam (PF00517) | Human immunodeficiency virus 1 | Env polyprotein |
| 2 | B (D) | 35O22 scFv heavy chain portion | polymer | 134 | 14663.3 | 1 | Homo sapiens (Human) | ||
| 3 | C (E) | 35O22 scFv light chain portion | polymer | 114 | 12358.6 | 1 | Homo sapiens (Human) | ||
| 4 | D (G) | Envelope glycoprotein gp160 | polymer | 481 | 54021.3 | 1 | UniProt (Q2N0S6) Pfam (PF00516) | Human immunodeficiency virus 1 | Env polyprotein |
| 5 | E (H) | 3H109L Fab heavy chain | polymer | 244 | 26255.5 | 1 | Homo sapiens (Human) | ||
| 6 | F (L) | 3H109L Fab light chain | polymer | 217 | 23416.1 | 1 | Homo sapiens | ||
| 7 | G (A) | alpha-D-mannopyranose-(1-3)-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 | 1073.0 | 1 | In PDB GlyTouCan (G09724ZC) | |||
| 8 | H, I (C, F) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G15407YE) | |||
| 9 | J, K, M (I, J, M) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 10 | L (K) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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 | 1721.5 | 1 | In PDB GlyTouCan (G40702WU) | |||
| 11 | N, O, P, Q, R... (B, D, G) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 12 | Chemie (NAG) | |||
| 12 | Z (G) | 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 | 1 | Chemie (83G) | |||
| 13 | AA, BA, CA, DA, EA... (B, D, E, G, H...) | water | water | 18.0 | 76 | Chemie (HOH) |
Sequence modifications
B: 512 - 664 (UniProt: Q2N0S6)
G: 31 - 508 (UniProt: Q2N0S6)
| PDB | External Database | Details |
|---|---|---|
| Pro 559 | Ile 556 | engineered mutation |
| Cys 605 | Thr 602 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 137 | Asn 136 | engineered mutation |
| Asn 332 | Thr 330 | conflict |
| Cys 501 | Ala 498 | conflict |
| Arg 509 | - | expression tag |
| Arg 510 | - | expression tag |
| Arg 511 | - | expression tag |
| Arg 512 | - | expression tag |
| Arg 513 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 147861.3 | |
| Branched | Number of molecules | 7 |
| Total formula weight | 5240.8 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3060.9 | |
| All* | Total formula weight | 156163.0 |
