6FTP
Crystal form 1 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Alpha-1-antichymotrypsin | polymer | 369 | 41986.5 | 1 | UniProt (P01011) Pfam (PF00079) In PDB | Homo sapiens (Human) | ACT,Cell growth-inhibiting gene 24/25 protein,Serpin A3 |
2 | B | Alpha-1-antichymotrypsin | polymer | 40 | 4720.6 | 1 | UniProt (P01011) In PDB | Homo sapiens (Human) | ACT,Cell growth-inhibiting gene 24/25 protein,Serpin A3 |
3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
4 | B | DOXORUBICIN | non-polymer | 543.5 | 1 | Chemie (DM2) | |||
5 | water | water | 18.0 | 197 | Chemie (HOH) |
Sequence modifications
A: 3 - 360 (UniProt: P01011)
B: 363 - 400 (UniProt: P01011)
PDB | External Database | Details |
---|---|---|
Met -8 | - | initiating methionine |
Lys -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
Met 0 | - | expression tag |
Lys 1 | - | expression tag |
Gln 2 | - | expression tag |
Arg 24 | Leu 47 | engineered mutation |
Phe 194 | Trp 217 | engineered mutation |
Tyr 215 | Trp 238 | engineered mutation |
Gln 242 | Glu 265 | engineered mutation |
Asn 244 | Lys 267 | engineered mutation |
Ser 269 | Leu 292 | engineered mutation |
Gln 270 | Pro 293 | engineered mutation |
Ser 274 | Lys 297 | engineered mutation |
Phe 276 | Trp 299 | engineered mutation |
Phe 277 | Arg 300 | engineered mutation |
Glu 278 | Asp 301 | engineered mutation |
Arg 349 | Ala 372 | engineered mutation |
Leu 355 | Val 378 | engineered mutation |
Glu 356 | Lys 379 | engineered mutation |
Val 357 | Ile 380 | engineered mutation |
Leu 358 | Thr 381 | engineered mutation |
Phe 359 | Leu 382 | engineered mutation |
Gln 360 | Leu 383 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Gly 361 | - | engineered mutation |
Pro 362 | - | engineered mutation |
Asp 382 | Pro 405 | engineered mutation |
Asn 383 | Thr 406 | engineered mutation |
Phe 384 | Asp 407 | engineered mutation |
Trp 386 | Gln 409 | engineered mutation |
Ser 387 | Asn 410 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 46707.1 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 729.7 | |
All* | Total formula weight | 47436.8 |