1A3L
CATALYSIS OF A DISFAVORED REACTION: AN ANTIBODY EXO DIELS-ALDERASE-TSA-INHIBITOR COMPLEX AT 1.95 A RESOLUTION
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | IMMUNOGLOBULIN FAB 13G5 (LIGHT CHAIN) | polymer | 217 | 23806.5 | 1 | GenBank (1911624) Pfam (PF07654) UniProt (by SIFTS) (P01837) | Mus musculus (house mouse) | |
| 2 | B (H) | IMMUNOGLOBULIN FAB 13G5 (HEAVY CHAIN) | polymer | 218 | 23200.8 | 1 | EMBL (Y08011) Pfam (PF07654) UniProt (by SIFTS) (P01869) | Mus musculus (house mouse) | |
| 3 | C (L) | 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE | non-polymer | 301.1 | 1 | Chemie (CFC) | |||
| 4 | D, E (L, H) | water | water | 18.0 | 309 | Chemie (HOH) |
Sequence modifications
L: 1 - 212 (GenBank: 1911624)
H: 1 - 227 (EMBL: Y08011)
| PDB | External Database | Details |
|---|---|---|
| Val 3 | Leu 3 | conflict |
| Leu 4 | Met 4 | conflict |
| Ala 7 | Thr 7 | conflict |
| Ala 8 | Pro 8 | conflict |
| Phe 9 | Leu 9 | conflict |
| Asn 11 | Leu 11 | conflict |
| Thr 14 | Ser 14 | conflict |
| Ala 17 | Asp 17 | conflict |
| Ser 18 | Gln 18 | conflict |
| Lys 27 | Gln 27 | conflict |
| Leu 27 | Ile 29 | conflict |
| Leu 27 | Val 30 | conflict |
| Asn 27 | His 31 | conflict |
| Ile 30 | Asn 35 | conflict |
| Ile 31 | Thr 36 | conflict |
| His 32 | Tyr 37 | conflict |
| Met 33 | Leu 38 | conflict |
| Tyr 34 | Glu 39 | conflict |
| Gln 45 | Lys 50 | conflict |
| Gln 50 | Lys 55 | conflict |
| Met 51 | Leu 56 | conflict |
| Leu 54 | Arg 59 | conflict |
| Ala 55 | Phe 60 | conflict |
| Ala 58 | Val 63 | conflict |
| Arg 74 | Lys 79 | conflict |
| Val 83 | Leu 88 | conflict |
| Ala 89 | Phe 94 | conflict |
| Asn 91 | Gly 96 | conflict |
| Leu 92 | Ser 97 | conflict |
| Glu 93 | Leu 98 | conflict |
| Leu 94 | Val 99 | conflict |
| Tyr 96 | Trp 101 | conflict |
| Thr 168 | Ser 173 | conflict |
| Lys 183 | Glu 188 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Gln 3 | Lys 24 | conflict |
| Glu 5 | His 26 | conflict |
| Glu 10 | Gly 31 | conflict |
| Phe 45 | Leu 66 | conflict |
| Val 55 | Gly 77 | conflict |
| Thr 58 | Asn 80 | conflict |
| Asn 59 | Tyr 81 | conflict |
| Arg 64 | Lys 86 | conflict |
| Ile 68 | Thr 90 | conflict |
| - | Phe 120 | deletion |
| - | Tyr 121 | deletion |
| Ala 95 | Tyr 122 | conflict |
| Gly 97 | Ser 124 | conflict |
| Tyr 98 | Ser 125 | conflict |
| Thr 100 | Trp 127 | conflict |
| Gly 100 | Tyr 128 | conflict |
| Gly 100 | Phe 129 | conflict |
| Tyr 102 | Val 131 | conflict |
| Ser 108 | Thr 137 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47007.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 301.1 | |
| All* | Total formula weight | 47308.4 |
