Crystal Structure of anti-Hiv-1 V3 Mab 2557 Fab in complex with a Hiv-1 Gp120 V3 Mimotope
PDB | 3mls |
Species | HOMO SAPIENS |
Method | X-RAY DIFFRACTION |
Resolution | 2.5Å |
Number of Fvs | 4 |
In complex | True |
Light chain type | Lambda |
Has constant region | True |
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Display options: |
This PDB has 4 Fv(s).
Fv Details | |
---|---|
Heavy chain | J |
Light chain | N |
Heavy subgroup | IGHV5 |
Light subgroup | IGLV3 |
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 | 52A | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
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E | V | Q | L | V | E | S | G | G | E | V | K | Q | P | G | Q | S | L | K | I | S | C | K | S | S | G | Y | N | F | L | D | S | W | I | G | W | V | R | Q | I | P | G | K | G | L | E | W | I | G | I | I | Y | P | D | D | S | D | A | H | Y | S | P | S | F | E | G | Q | V | T | M | S | V | D | K | S | I | S | T | A | Y | L | Q | W | T | T | L | Q | A | S | D | T | G | K | Y | F | C | T | R | L | Y | L | F | E | G | A | Q | S | S | N | A | F | D | L | W | G | Q | G | T | M | I | L | V | S | S |
Light chain
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 | 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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Y | D | L | T | Q | P | P | S | V | S | V | S | P | G | Q | T | A | S | I | S | C | S | G | D | K | L | D | D | K | Y | V | S | W | Y | Y | Q | R | P | G | Q | S | P | V | L | L | M | Y | Q | D | F | K | R | P | S | G | I | P | E | R | L | S | G | S | K | S | G | K | T | A | T | L | T | I | S | G | T | Q | S | L | D | E | G | D | Y | Y | C | Q | A | W | D | A | S | T | G | V | S | G | G | G | T | K | L | T | V | L |
Antigen Details | |
---|---|
Antigen chains | R |
Antigen type | peptide |
Antigen name | rationally designed v3 mimotope |
Antigen species | SYNTHETIC CONSTRUCT |
Antigen sequence | ACQAFYASSPRKSIHIGACA |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYNFLDS |
CDRH2 | YPDDSD |
CDRH3 | LYLFEGAQSSNAFDL |
CDRL1 | SGDKLDDKYVS |
CDRL2 | QDFKRPS |
CDRL3 | QAWDASTGV |
Orientation Angles (from ABangle) | |
---|---|
HL | -56.2° |
HC1 | 70.94° |
HC2 | 116.83° |
LC1 | 122.1° |
LC2 | 82.04° |
dc | 16.36Å |
Fv Details | |
---|---|
Heavy chain | I |
Light chain | M |
Heavy subgroup | IGHV5 |
Light subgroup | IGLV3 |
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 | 52A | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
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E | V | Q | L | V | E | S | G | G | E | V | K | Q | P | G | Q | S | L | K | I | S | C | K | S | S | G | Y | N | F | L | D | S | W | I | G | W | V | R | Q | I | P | G | K | G | L | E | W | I | G | I | I | Y | P | D | D | S | D | A | H | Y | S | P | S | F | E | G | Q | V | T | M | S | V | D | K | S | I | S | T | A | Y | L | Q | W | T | T | L | Q | A | S | D | T | G | K | Y | F | C | T | R | L | Y | L | F | E | G | A | Q | S | S | N | A | F | D | L | W | G | Q | G | T | M | I | L | V | S | S |
Light chain
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 | 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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Y | D | L | T | Q | P | P | S | V | S | V | S | P | G | Q | T | A | S | I | S | C | S | G | D | K | L | D | D | K | Y | V | S | W | Y | Y | Q | R | P | G | Q | S | P | V | L | L | M | Y | Q | D | F | K | R | P | S | G | I | P | E | R | L | S | G | S | K | S | G | K | T | A | T | L | T | I | S | G | T | Q | S | L | D | E | G | D | Y | Y | C | Q | A | W | D | A | S | T | G | V | S | G | G | G | T | K | L | T | V | L |
Antigen Details | |
---|---|
Antigen chains | Q |
Antigen type | peptide |
Antigen name | rationally designed v3 mimotope |
Antigen species | SYNTHETIC CONSTRUCT |
Antigen sequence | ACQAFYASSPRKSIHIGACA |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYNFLDS |
CDRH2 | YPDDSD |
CDRH3 | LYLFEGAQSSNAFDL |
CDRL1 | SGDKLDDKYVS |
CDRL2 | QDFKRPS |
CDRL3 | QAWDASTGV |
Orientation Angles (from ABangle) | |
---|---|
HL | -57.23° |
HC1 | 70.69° |
HC2 | 116.74° |
LC1 | 122.51° |
LC2 | 82.07° |
dc | 16.44Å |
Fv Details | |
---|---|
Heavy chain | H |
Light chain | L |
Heavy subgroup | IGHV5 |
Light subgroup | IGLV3 |
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 | 52A | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
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E | V | Q | L | V | E | S | G | G | E | V | K | Q | P | G | Q | S | L | K | I | S | C | K | S | S | G | Y | N | F | L | D | S | W | I | G | W | V | R | Q | I | P | G | K | G | L | E | W | I | G | I | I | Y | P | D | D | S | D | A | H | Y | S | P | S | F | E | G | Q | V | T | M | S | V | D | K | S | I | S | T | A | Y | L | Q | W | T | T | L | Q | A | S | D | T | G | K | Y | F | C | T | R | L | Y | L | F | E | G | A | Q | S | S | N | A | F | D | L | W | G | Q | G | T | M | I | L | V | S | S |
Light chain
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 | 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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Y | D | L | T | Q | P | P | S | V | S | V | S | P | G | Q | T | A | S | I | S | C | S | G | D | K | L | D | D | K | Y | V | S | W | Y | Y | Q | R | P | G | Q | S | P | V | L | L | M | Y | Q | D | F | K | R | P | S | G | I | P | E | R | L | S | G | S | K | S | G | K | T | A | T | L | T | I | S | G | T | Q | S | L | D | E | G | D | Y | Y | C | Q | A | W | D | A | S | T | G | V | S | G | G | G | T | K | L | T | V | L |
Antigen Details | |
---|---|
Antigen chains | P |
Antigen type | peptide |
Antigen name | rationally designed v3 mimotope |
Antigen species | SYNTHETIC CONSTRUCT |
Antigen sequence | ACQAFYASSPRKSIHIGACA |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYNFLDS |
CDRH2 | YPDDSD |
CDRH3 | LYLFEGAQSSNAFDL |
CDRL1 | SGDKLDDKYVS |
CDRL2 | QDFKRPS |
CDRL3 | QAWDASTGV |
Orientation Angles (from ABangle) | |
---|---|
HL | -58.76° |
HC1 | 70.29° |
HC2 | 116.49° |
LC1 | 121.76° |
LC2 | 81.05° |
dc | 16.51Å |
Fv Details | |
---|---|
Heavy chain | K |
Light chain | O |
Heavy subgroup | IGHV5 |
Light subgroup | IGLV3 |
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 | 52A | 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 | 101 | 102 | 103 | 104 | 105 | 106 | 107 | 108 | 109 | 110 | 111 | 112 | 113 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E | V | Q | L | V | E | S | G | G | E | V | K | Q | P | G | Q | S | L | K | I | S | C | K | S | S | G | Y | N | F | L | D | S | W | I | G | W | V | R | Q | I | P | G | K | G | L | E | W | I | G | I | I | Y | P | D | D | S | D | A | H | Y | S | P | S | F | E | G | Q | V | T | M | S | V | D | K | S | I | S | T | A | Y | L | Q | W | T | T | L | Q | A | S | D | T | G | K | Y | F | C | T | R | L | Y | L | F | E | G | A | Q | S | S | N | A | F | D | L | W | G | Q | G | T | M | I | L | V | S | S |
Light chain
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 | 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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Y | D | L | T | Q | P | P | S | V | S | V | S | P | G | Q | T | A | S | I | S | C | S | G | D | K | L | D | D | K | Y | V | S | W | Y | Y | Q | R | P | G | Q | S | P | V | L | L | M | Y | Q | D | F | K | R | P | S | G | I | P | E | R | L | S | G | S | K | S | G | K | T | A | T | L | T | I | S | G | T | Q | S | L | D | E | G | D | Y | Y | C | Q | A | W | D | A | S | T | G | V | S | G | G | G | T | K | L | T | V | L |
Antigen Details | |
---|---|
Antigen chains | S |
Antigen type | peptide |
Antigen name | rationally designed v3 mimotope |
Antigen species | SYNTHETIC CONSTRUCT |
Antigen sequence | ACQAFYASSPRKSIHIGACA |
CDR Sequences (chothia definition) | |
---|---|
CDRH1 | GYNFLDS |
CDRH2 | YPDDSD |
CDRH3 | LYLFEGAQSSNAFDL |
CDRL1 | SGDKLDDKYVS |
CDRL2 | QDFKRPS |
CDRL3 | QAWDASTGV |
Orientation Angles (from ABangle) | |
---|---|
HL | -56.48° |
HC1 | 71.1° |
HC2 | 116.44° |
LC1 | 122.02° |
LC2 | 81.72° |
dc | 16.34Å |
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]