7LOK
Structure of CD4 mimetic M48U1 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, L (C, A, E) | Envelope glycoprotein BG505 SOSIP.664 gp120 | polymer | 479 | 53864.1 | 3 | UniProt (Q2N0S6) Pfam (PF00516) | Human immunodeficiency virus 1 | |
| 2 | B, D, K (D, B, F) | Envelope Glycoprotein BG505 SOSIP.664 gp41 | polymer | 153 | 17146.5 | 3 | UniProt (Q2N0S6) Pfam (PF00517) | Human immunodeficiency virus 1 (HIV-1) | |
| 3 | E, G (J, L) | 17b Fab Light Chain | polymer | 214 | 23399.9 | 2 | Homo sapiens | ||
| 4 | F, H (K, M) | 17b Fab Heavy Chain | polymer | 239 | 25748.8 | 2 | Homo sapiens | ||
| 5 | I, J, M (G, H, I) | M48U1 | polymer | 28 | 3056.8 | 3 | Leiurus quinquestriatus hebraeus | ||
| 6 | N (N) | 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) | |||
| 7 | O (O) | 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 (G10756ZZ) | |||
| 8 | P (P) | 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 | Q, R, S, T, U... (C, A, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) |
Sequence modifications
C, A, E: 33 - 513 (UniProt: Q2N0S6)
D, B, F: 512 - 664 (UniProt: Q2N0S6)
| 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 511 | - | insertion |
| Arg 512 | - | insertion |
| PDB | External Database | Details |
|---|---|---|
| Pro 559 | Ile 556 | engineered mutation |
| Cys 605 | Thr 602 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 13 |
| Total formula weight | 320499.5 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 2732.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1769.7 | |
| All* | Total formula weight | 325001.6 |
