Cationic Cyclization antibody 4C6 complex with Transition State analog
PDB | 1nd0 |
Species | MUS MUSCULUS |
Method | X-RAY DIFFRACTION |
Resolution | 2.45Å |
Number of Fvs | 4 |
In complex | True |
Light chain type | Kappa |
Has constant region | True |
|
Display options: |
This PDB has 4 Fv(s).
Fv Details | |
---|---|
Heavy chain | B |
Light chain | A |
Heavy subgroup | IGHV3 |
Light subgroup | IGKV1 |
Species | MUS MUSCULUS |
In complex? | True |
scFv? | False |
Has constant domain? | True |
Numbered Sequences (chothia) |
---|
Heavy chain
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 | 31A | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 52A | 53 | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 |
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V | Q | L | Q | Q | S | G | P | G | L | V | K | P | S | Q | S | L | S | L | T | C | T | V | T | G | Y | S | I | T | S | D | F | A | W | N | W | I | R | Q | F | P | G | N | K | L | E | W | M | G | Y | I | N | Y | S | G | F | T | S | H | N | P | S | L | K | S | R | I | S | I | T | R | D | T | S | K | N | Q | F | F | L | Q | L | N | S | V | T | T | E | D | T | A | T | Y | Y | C | A | G | L | L | W | Y | D | G | G | A | G | S | W | G | Q | G | T | L | V | T | V | S |
Light 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 | 30A | 30B | 30C | 30D | 30E | 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 | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
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D | V | V | M | T | Q | S | P | K | T | I | S | V | T | I | G | Q | P | A | S | I | S | C | K | S | S | Q | R | L | L | N | S | N | G | K | T | F | L | N | W | L | L | Q | R | P | G | Q | S | P | K | R | L | I | Y | L | G | T | K | L | D | S | G | V | P | D | R | F | T | G | S | G | S | G | T | D | F | T | L | K | I | S | R | V | E | A | E | D | L | G | V | Y | Y | C | W | Q | G | T | H | F | P | Y | T | F | G | G | G | T | K | L | E | I | K |
Antigen Details | |
---|---|
Antigen chains | A |
Antigen type | Hapten |
Antigen name | (1S,4S)-4-[DIMETHYL(PHENYL)SILYL]-1-METHYLPIPERIDINE 1-OXIDE |
Antigen species | MUS MUSCULUS |
Antigen sequence |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYSITSDF |
CDRH2 | NYSGF |
CDRH3 | LLWYDGGAGS |
CDRL1 | KSSQRLLNSNGKTFLN |
CDRL2 | LGTKLDS |
CDRL3 | WQGTHFPYT |
Orientation Angles (from ABangle) | |
---|---|
HL | -62.75° |
HC1 | 69.75° |
HC2 | 116.8° |
LC1 | 120.04° |
LC2 | 83.62° |
dc | 16.24Å |
Fv Details | |
---|---|
Heavy chain | H |
Light chain | G |
Heavy subgroup | IGHV3 |
Light subgroup | IGKV1 |
Species | MUS MUSCULUS |
In complex? | True |
scFv? | False |
Has constant domain? | True |
Numbered Sequences (chothia) |
---|
Heavy chain
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 | 31A | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 52A | 53 | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 |
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V | Q | L | Q | Q | S | G | P | G | L | V | K | P | S | Q | S | L | S | L | T | C | T | V | T | G | Y | S | I | T | S | D | F | A | W | N | W | I | R | Q | F | P | G | N | K | L | E | W | M | G | Y | I | N | Y | S | G | F | T | S | H | N | P | S | L | K | S | R | I | S | I | T | R | D | T | S | K | N | Q | F | F | L | Q | L | N | S | V | T | T | E | D | T | A | T | Y | Y | C | A | G | L | L | W | Y | D | G | G | A | G | S | W | G | Q | G | T | L | V | T | V | S |
Light 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 | 30A | 30B | 30C | 30D | 30E | 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 | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
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D | V | V | M | T | Q | S | P | K | T | I | S | V | T | I | G | Q | P | A | S | I | S | C | K | S | S | Q | R | L | L | N | S | N | G | K | T | F | L | N | W | L | L | Q | R | P | G | Q | S | P | K | R | L | I | Y | L | G | T | K | L | D | S | G | V | P | D | R | F | T | G | S | G | S | G | T | D | F | T | L | K | I | S | R | V | E | A | E | D | L | G | V | Y | Y | C | W | Q | G | T | H | F | P | Y | T | F | G | G | G | T | K | L | E | I | K |
Antigen Details | |
---|---|
Antigen chains | G |
Antigen type | Hapten |
Antigen name | (1S,4S)-4-[DIMETHYL(PHENYL)SILYL]-1-METHYLPIPERIDINE 1-OXIDE |
Antigen species | MUS MUSCULUS |
Antigen sequence |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYSITSDF |
CDRH2 | NYSGF |
CDRH3 | LLWYDGGAGS |
CDRL1 | KSSQRLLNSNGKTFLN |
CDRL2 | LGTKLDS |
CDRL3 | WQGTHFPYT |
Orientation Angles (from ABangle) | |
---|---|
HL | -62.24° |
HC1 | 69.46° |
HC2 | 116.66° |
LC1 | 120.33° |
LC2 | 84.23° |
dc | 16.33Å |
Fv Details | |
---|---|
Heavy chain | D |
Light chain | C |
Heavy subgroup | IGHV3 |
Light subgroup | IGKV1 |
Species | MUS MUSCULUS |
In complex? | True |
scFv? | False |
Has constant domain? | True |
Numbered Sequences (chothia) |
---|
Heavy chain
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 | 31A | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 52A | 53 | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 |
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V | Q | L | Q | Q | S | G | P | G | L | V | K | P | S | Q | S | L | S | L | T | C | T | V | T | G | Y | S | I | T | S | D | F | A | W | N | W | I | R | Q | F | P | G | N | K | L | E | W | M | G | Y | I | N | Y | S | G | F | T | S | H | N | P | S | L | K | S | R | I | S | I | T | R | D | T | S | K | N | Q | F | F | L | Q | L | N | S | V | T | T | E | D | T | A | T | Y | Y | C | A | G | L | L | W | Y | D | G | G | A | G | S | W | G | Q | G | T | L | V | T | V | S |
Light 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 | 30A | 30B | 30C | 30D | 30E | 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 | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
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D | V | V | M | T | Q | S | P | K | T | I | S | V | T | I | G | Q | P | A | S | I | S | C | K | S | S | Q | R | L | L | N | S | N | G | K | T | F | L | N | W | L | L | Q | R | P | G | Q | S | P | K | R | L | I | Y | L | G | T | K | L | D | S | G | V | P | D | R | F | T | G | S | G | S | G | T | D | F | T | L | K | I | S | R | V | E | A | E | D | L | G | V | Y | Y | C | W | Q | G | T | H | F | P | Y | T | F | G | G | G | T | K | L | E | I | K |
Antigen Details | |
---|---|
Antigen chains | C |
Antigen type | Hapten |
Antigen name | (1S,4S)-4-[DIMETHYL(PHENYL)SILYL]-1-METHYLPIPERIDINE 1-OXIDE |
Antigen species | MUS MUSCULUS |
Antigen sequence |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYSITSDF |
CDRH2 | NYSGF |
CDRH3 | LLWYDGGAGS |
CDRL1 | KSSQRLLNSNGKTFLN |
CDRL2 | LGTKLDS |
CDRL3 | WQGTHFPYT |
Orientation Angles (from ABangle) | |
---|---|
HL | -62.31° |
HC1 | 69.67° |
HC2 | 116.75° |
LC1 | 120.08° |
LC2 | 84.09° |
dc | 16.33Å |
Fv Details | |
---|---|
Heavy chain | F |
Light chain | E |
Heavy subgroup | IGHV3 |
Light subgroup | IGKV1 |
Species | MUS MUSCULUS |
In complex? | True |
scFv? | False |
Has constant domain? | True |
Numbered Sequences (chothia) |
---|
Heavy chain
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 | 31A | 32 | 33 | 34 | 35 | 36 | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 52A | 53 | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 |
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V | Q | L | Q | Q | S | G | P | G | L | V | K | P | S | Q | S | L | S | L | T | C | T | V | T | G | Y | S | I | T | S | D | F | A | W | N | W | I | R | Q | F | P | G | N | K | L | E | W | M | G | Y | I | N | Y | S | G | F | T | S | H | N | P | S | L | K | S | R | I | S | I | T | R | D | T | S | K | N | Q | F | F | L | Q | L | N | S | V | T | T | E | D | T | A | T | Y | Y | C | A | G | L | L | W | Y | D | G | G | A | G | S | W | G | Q | G | T | L | V | T | V | S |
Light 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 | 30A | 30B | 30C | 30D | 30E | 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 | 96 | 97 | 98 | 99 | 100 | 101 | 102 | 103 | 104 | 105 | 106 | 107 |
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D | V | V | M | T | Q | S | P | K | T | I | S | V | T | I | G | Q | P | A | S | I | S | C | K | S | S | Q | R | L | L | N | S | N | G | K | T | F | L | N | W | L | L | Q | R | P | G | Q | S | P | K | R | L | I | Y | L | G | T | K | L | D | S | G | V | P | D | R | F | T | G | S | G | S | G | T | D | F | T | L | K | I | S | R | V | E | A | E | D | L | G | V | Y | Y | C | W | Q | G | T | H | F | P | Y | T | F | G | G | G | T | K | L | E | I | K |
Antigen Details | |
---|---|
Antigen chains | E |
Antigen type | Hapten |
Antigen name | (1S,4S)-4-[DIMETHYL(PHENYL)SILYL]-1-METHYLPIPERIDINE 1-OXIDE |
Antigen species | MUS MUSCULUS |
Antigen sequence |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYSITSDF |
CDRH2 | NYSGF |
CDRH3 | LLWYDGGAGS |
CDRL1 | KSSQRLLNSNGKTFLN |
CDRL2 | LGTKLDS |
CDRL3 | WQGTHFPYT |
Orientation Angles (from ABangle) | |
---|---|
HL | -62.72° |
HC1 | 70.27° |
HC2 | 116.76° |
LC1 | 119.75° |
LC2 | 83.64° |
dc | 16.26Å |
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]