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
| PDB | 6mtj |
| Species | HOMO SAPIENS |
| Method | X-RAY DIFFRACTION |
| Resolution | 2.336Å |
| Number of Fvs | 2 |
| In complex | True |
| Light chain type | unknown |
| Has constant region | True |
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Display options: |
This PDB has 2 Fv(s).
| Fv Details | |
|---|---|
| Heavy chain | D |
| Light chain | E |
| Heavy subgroup | unknown |
| Light subgroup | unknown |
| Species | HOMO SAPIENS |
| In complex? | True |
| scFv? | False |
| Has constant domain? | False |
| Numbered Sequences (chothia) |
|---|
Heavy chain
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 31 | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 52A | 53 | 54 | 55 | 56 | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 69 | 70 | 71 | 72 | 73 | 73A | 73B | 73C | 73D | 73E | 73F | 73G | 73H | 74 | 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | 82A | 82B | 82C | 83 | 84 | 85 | 86 | 87 | 88 | 89 | 90 | 91 | 92 | 93 | 94 | 95 | 96 | 97 | 98 | 99 | 100 | 100A | 100B | 100C | 100D | 100E | 100F | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Q | G | Q | L | V | Q | S | G | A | T | T | T | K | P | G | S | S | V | K | I | S | C | K | T | S | G | Y | R | F | N | F | Y | H | I | N | W | I | R | Q | T | A | G | R | G | P | E | W | M | G | W | I | S | P | Y | S | G | D | K | N | L | A | P | A | F | Q | D | R | V | N | M | T | T | D | T | E | V | P | V | T | S | F | T | S | T | G | A | A | Y | M | E | I | R | N | L | T | S | D | D | T | G | T | Y | F | C | A | K | G | L | L | R | D | G | S | S | T | W | L | P | Y | L | W | G | Q | G | T | L | L | T | V | S | S |
Light chain
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 30A | 30B | 30C | 31 | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 53 | 54 | 55 | 56 | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 69 | 70 | 71 | 72 | 73 | 74 | 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | 83 | 84 | 85 | 86 | 87 | 88 | 89 | 90 | 91 | 92 | 93 | 94 | 95 | 95A | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Q | S | V | L | T | Q | S | A | S | V | S | G | S | L | G | Q | S | V | T | I | S | C | T | G | P | N | S | V | C | C | S | H | K | S | I | S | W | Y | Q | W | P | P | G | R | A | P | T | L | I | I | Y | E | D | N | E | R | A | P | G | I | S | P | R | F | S | G | Y | K | S | Y | W | S | A | Y | L | T | I | S | D | L | R | P | E | D | E | T | T | Y | Y | C | C | S | Y | T | H | N | S | G | C | V | F | G | T | G | T | K | V | S | V | L |
| Antigen Details | |
|---|---|
| Antigen chains | B |
| Antigen type | protein |
| Antigen name | envelope glycoprotein gp160 |
| Antigen species | HUMAN IMMUNODEFICIENCY VIRUS 1 |
| Antigen sequence | AVGIGAVFLGFLGAAGSTMGAASMTLTVQARNLLSGIVQQQSNLLRAPEAQQHLLKLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNRNLSEIWDNMTWLQWDKEISNYTQIIYGLLEESQNQQEKNEQDLLALD |
| CDR Sequences (chothia definition) | |
|---|---|
| CDRH1 | GYRFNFY |
| CDRH2 | SPYSGD |
| CDRH3 | GLLRDGSSTWLPYL |
| CDRL1 | TGPNSVCCSHKSIS |
| CDRL2 | EDNERAP |
| CDRL3 | CSYTHNSGCV |
| Orientation Angles (from ABangle) | |
|---|---|
| HL | -62.9° |
| HC1 | 72.92° |
| HC2 | 119.92° |
| LC1 | 121.19° |
| LC2 | 85.68° |
| dc | 16.23Å |
| Fv Details | |
|---|---|
| Heavy chain | H |
| Light chain | L |
| Heavy subgroup | IGHV4 |
| Light subgroup | unknown |
| Species | HOMO SAPIENS |
| In complex? | True |
| scFv? | False |
| Has constant domain? | True |
| Numbered Sequences (chothia) |
|---|
Heavy chain
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 31 | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 53 | 54 | 55 | 56 | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 69 | 70 | 71 | 72 | 73 | 74 | 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | 82A | 82B | 82C | 83 | 84 | 85 | 86 | 87 | 88 | 89 | 90 | 91 | 92 | 93 | 94 | 95 | 96 | 97 | 98 | 99 | 100 | 100A | 100B | 100C | 100D | 100E | 100F | 100G | 100H | 100I | 100J | 100K | 100L | 100M | 100N | 100O | 100P | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Q | V | Q | L | Q | E | S | G | P | G | L | V | K | P | S | E | T | L | S | L | T | C | T | V | S | G | G | S | I | S | N | Y | Y | W | S | W | I | R | Q | S | P | G | K | G | L | E | W | I | G | Y | I | S | D | S | E | S | T | N | Y | N | P | S | L | K | S | R | V | I | I | S | V | D | T | S | K | N | Q | L | S | L | K | L | N | S | V | T | A | A | D | S | A | I | Y | Y | C | A | R | A | Q | Q | G | K | R | I | Y | G | M | V | S | F | G | E | F | F | Y | Y | Y | Y | M | D | V | W | G | K | G | T | T | V | T | V | S | S |
Light chain
| 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 31 | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 53 | 54 | 55 | 56 | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 68A | 68B | 68C | 69 | 70 | 71 | 72 | 73 | 74 | 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | 83 | 84 | 85 | 86 | 87 | 88 | 89 | 90 | 91 | 92 | 93 | 94 | 95 | 95A | 95B | 95C | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| L | S | V | A | L | G | E | T | A | S | I | S | C | G | R | Q | A | L | G | S | R | A | V | Q | W | Y | Q | H | R | P | G | Q | A | P | I | L | L | I | Y | N | N | Q | D | R | P | S | G | I | P | E | R | F | S | G | T | P | D | I | N | F | G | T | R | A | T | L | T | I | S | G | V | E | A | G | D | E | A | D | Y | Y | C | H | M | W | D | S | R | S | G | F | S | W | S | F | G | G | A | T | R | L | T | V | L |
| Antigen Details | |
|---|---|
| Antigen chains | G |
| Antigen type | protein |
| Antigen name | envelope glycoprotein gp160 |
| Antigen species | HUMAN IMMUNODEFICIENCY VIRUS 1 |
| Antigen sequence | AENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNAITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR |
| CDR Sequences (chothia definition) | |
|---|---|
| CDRH1 | GGSISNY |
| CDRH2 | SDSES |
| CDRH3 | AQQGKRIYGMVSFGEFFYYYYMDV |
| CDRL1 | GRQALGSRAVQ |
| CDRL2 | NNQDRPS |
| CDRL3 | HMWDSRSGFSWS |
| Orientation Angles (from ABangle) | |
|---|---|
| HL | -50.03° |
| HC1 | 71.5° |
| HC2 | 122.66° |
| LC1 | 129.45° |
| LC2 | 92.86° |
| dc | 17.0Å |
Schneider, C., Raybould, M.I.J., Deane, C.M. (2022) SAbDab in the Age of Biotherapeutics: Updates including SAbDab-Nano, the Nanobody Structure Tracker. Nucleic Acids Res. 50(D1):D1368-D1372 [link]
SAbDab paper: Dunbar, J., Krawczyk, K. et al (2014). Nucleic Acids Res. 42. D1140-D1146 [link]
Thera-SAbDab paper: Raybould, M.I.J., Marks, C. et al (2019). Nucleic Acids Res. gkz827 [link]
