9BIO
Structure of VRC44.01 Fab in complex with 3BNC117-purified C1080.c3 RnS SOSIP.664 HIV-1 Env trimer
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, G, M (B, A, J) | Envelope glycoprotein gp41 | polymer | 170 | 19174.8 | 3 | UniProt (I6NF57) UniProt (by SIFTS) (A0A0R6CVA7) | Human immunodeficiency virus 1 (HIV-1) | gp41 |
| 2 | B, H, N (G, C, K) | Envelope glycoprotein gp160 | polymer | 478 | 54234.8 | 3 | UniProt (I6NF57) UniProt (by SIFTS) (Q1M0K6) | Human immunodeficiency virus 1 (HIV-1) | gp120 |
| 3 | C, I, O (S, D, M) | 3BNC117 heavy chain | polymer | 226 | 24656.5 | 3 | Homo sapiens (human) | ||
| 4 | D, J, P (U, E, N) | 3BNC117 light chain | polymer | 206 | 23022.7 | 3 | Homo sapiens (human) | ||
| 5 | E, K, Q (L, F, O) | VRC44.01 light chain | polymer | 107 | 11592.0 | 3 | Homo sapiens (human) | ||
| 6 | F, L, R (H, I, P) | VRC44.01 heavy chain | polymer | 124 | 13926.5 | 3 | Homo sapiens (human) | ||
| 7 | GA, S, UA (g, Q, u) | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1219.1 | 3 | In PDB GlyTouCan (G27389SR) | |||
| 8 | AA, AB, CA, CB, DA... (a, 0, c, 2, d...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 23 | In PDB GlyTouCan (G42666HT) | |||
| 9 | JA, V, XA (j, V, x) | 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 | 3 | In PDB GlyTouCan (G22768VO) | |||
| 10 | KA, W, YA (k, W, y) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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 | 1559.4 | 3 | In PDB GlyTouCan (G68668TB) | |||
| 11 | BA, DB, LA, PA, X... (b, 3, l, p, X...) | 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 | 6 | In PDB GlyTouCan (G55220VL) | |||
| 12 | BB, NA, Z (1, n, Z) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 3 | In PDB GlyTouCan (G15407YE) | |||
| 13 | AC, BC, CC, DC, EC... (C, E, J, B, K...) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 34 | Chemie (NAG) | |||
| 14 | VB (C) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) |
Sequence modifications
B, A, J: 512 - 664 (UniProt: I6NF57)
G, C, K: 33 - 507 (UniProt: I6NF57)
| PDB | External Database | Details |
|---|---|---|
| Asn 535 | Ile 529 | conflict |
| Pro 556 | Leu 550 | conflict |
| Pro 559 | Ile 553 | conflict |
| Glu 588 | Lys 582 | conflict |
| Val 589 | Asp 583 | conflict |
| Cys 605 | Thr 599 | conflict |
| Phe 651 | Asn 645 | conflict |
| Ile 655 | Arg 649 | conflict |
| Val 658 | Lys 652 | conflict |
| Gly 665 | - | expression tag |
| Ser 666 | - | expression tag |
| Ala 667 | - | expression tag |
| Pro 668 | - | expression tag |
| Thr 669 | - | expression tag |
| Lys 670 | - | expression tag |
| Ala 671 | - | expression tag |
| Lys 672 | - | expression tag |
| Arg 673 | - | expression tag |
| Arg 674 | - | expression tag |
| Val 675 | - | expression tag |
| Val 676 | - | expression tag |
| Gln 677 | - | expression tag |
| Arg 678 | - | expression tag |
| Glu 679 | - | expression tag |
| Lys 680 | - | expression tag |
| Arg 681 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 31 | - | expression tag |
| Glu 32 | - | expression tag |
| Pro 124 | His 123 | conflict |
| Leu 179 | Thr 179 | conflict |
| Cys 201 | Ile 200 | conflict |
| Thr 358 | Lys 355 | conflict |
| Thr 400 | Gly 397 | conflict |
| Cys 433 | Ala 425 | conflict |
| Cys 501 | Ala 495 | conflict |
| Arg 508 | - | expression tag |
| 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 | 18 |
| Total formula weight | 439821.6 | |
| Branched | Number of molecules | 41 |
| Total formula weight | 29999.4 | |
| Non-Polymers* | Number of molecules | 35 |
| Total formula weight | 7616.0 | |
| All* | Total formula weight | 477437.0 |
