7LO6
Structure of CD4 mimetic BNM-III-170 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, E (A, C, E) | Envelope glycoprotein BG505 SOSIP.664 gp120 | polymer | 479 | 53864.1 | 3 | UniProt (Q2N0S6) | Human immunodeficiency virus 1 | Env polyprotein |
| 2 | B, D, F (B, D, F) | HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp41 | polymer | 153 | 17146.5 | 3 | UniProt (Q2N0S6) | Human immunodeficiency virus 1 (HIV-1) | |
| 3 | G, I, K (G, I, K) | 17b Fab Light Chain | polymer | 214 | 23399.9 | 3 | Homo sapiens | ||
| 4 | H, J, L (H, J, L) | 17b Fab Heavy Chain | polymer | 239 | 25748.8 | 3 | Homo sapiens | ||
| 5 | M, O, Q, R, T... (M, O, Q, R, T...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 7 | In PDB GlyTouCan (G42666HT) | |||
| 6 | N (N) | 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 | 910.8 | 1 | In PDB GlyTouCan (G77367MI) | |||
| 7 | P (P) | 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) | |||
| 8 | S (S) | 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 | 1 | In PDB GlyTouCan (G07617FP) | |||
| 9 | AA, BA, CA, DA, FA... (A, C, D, E, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 27 | Chemie (NAG) | |||
| 10 | EA, NA, XA (A, C, E) | ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | non-polymer | 446.9 | 3 | Chemie (5VG) |
Sequence modifications
A, C, E: 33 - 513 (UniProt: Q2N0S6)
B, D, 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 | 12 |
| Total formula weight | 360477.7 | |
| Branched | Number of molecules | 10 |
| Total formula weight | 6189.7 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 7313.3 | |
| All* | Total formula weight | 373980.7 |
