6MU7
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 Angstrom
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B | Envelope glycoprotein gp160 | polymer | 153 | 17146.5 | 1 | UniProt (Q2N0S6) Pfam (PF00517) In PDB | Human immunodeficiency virus 1 | Env polyprotein |
| 2 | D | 35O22 scFv heavy chain portion | polymer | 134 | 14663.3 | 1 | Homo sapiens (Human) | ||
| 3 | E | 35O22 scFv light chain portion | polymer | 114 | 12358.6 | 1 | Homo sapiens (Human) | ||
| 4 | G | Envelope glycoprotein gp160 | polymer | 481 | 54021.3 | 1 | UniProt (Q2N0S6) Pfam (PF00516) In PDB | Human immunodeficiency virus 1 | Env polyprotein |
| 5 | H | 3H109L Fab heavy chain | polymer | 244 | 26255.5 | 1 | Homo sapiens (Human) | ||
| 6 | L | 3H109L Fab light chain | polymer | 217 | 23416.1 | 1 | Homo sapiens | ||
| 7 | 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 | 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 | 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 | 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 | B, D, G | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 12 | Chemie (NAG) | |||
| 12 | G | 4-{3-[{4-[(R)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-N-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide | non-polymer | 572.6 | 1 | Chemie (JYY) | |||
| 13 | water | water | 18.0 | 13 | 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 | 3227.1 | |
| All* | Total formula weight | 156329.2 |
