5BQM
Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Botulinum neurotoxin type D | polymer | 453 | 51677.2 | 2 | UniProt (P19321) Pfam (PF01742) In PDB | Clostridium botulinum | BoNT/D,Bontoxilysin-D |
| 2 | B, D | Somatoliberin,Botulinum neurotoxin type D | polymer | 474 | 53718.5 | 2 | UniProt (P01286) UniProt (P19321) Pfam (PF00123) Pfam (PF07952) In PDB | Homo sapiens (Human) | Growth hormone-releasing factor,GRF,Growth hormone-releasing hormone,GHRH,Somatocrinin,Somatorelin,BoNT/D,Bontoxilysin-D |
| 3 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | water | water | 18.0 | 7 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 437 (UniProt: P19321)
B, D: 454 - 495 (UniProt: P01286)
B, D: 516 - 927 (UniProt: P19321)
| PDB | External Database | Details |
|---|---|---|
| Val 438 | - | expression tag |
| Asp 439 | - | expression tag |
| Gly 440 | - | expression tag |
| Ile 441 | - | expression tag |
| Ile 442 | - | expression tag |
| Thr 443 | - | expression tag |
| Ser 444 | - | expression tag |
| Lys 445 | - | expression tag |
| Thr 446 | - | expression tag |
| Lys 447 | - | expression tag |
| Ser 448 | - | expression tag |
| Leu 449 | - | expression tag |
| Ile 450 | - | expression tag |
| Glu 451 | - | expression tag |
| Gly 452 | - | expression tag |
| Arg 453 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| His 454 | Tyr 32 | conflict |
| Val 455 | Ala 33 | conflict |
| Gln 461 | Asn 39 | conflict |
| Ala 468 | Gly 46 | conflict |
| Leu 480 | Met 58 | conflict |
| Asn 481 | Ser 59 | conflict |
| Arg 487 | Ser 65 | conflict |
| Gln 491 | Arg 69 | conflict |
| Leu 494 | Arg 72 | conflict |
| Gly 496 | - | linker |
| Gly 497 | - | linker |
| Gly 498 | - | linker |
| Gly 499 | - | linker |
| Ser 500 | - | linker |
| Gly 501 | - | linker |
| Gly 502 | - | linker |
| Gly 503 | - | linker |
| Gly 504 | - | linker |
| Ser 505 | - | linker |
| Gly 506 | - | linker |
| Gly 507 | - | linker |
| Gly 508 | - | linker |
| Gly 509 | - | linker |
| Ser 510 | - | linker |
| Ala 511 | - | linker |
| Leu 512 | - | linker |
| Val 513 | - | linker |
| Leu 514 | - | linker |
| Gln 515 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 210791.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 130.8 | |
| All* | Total formula weight | 210922.2 |
