5OM7
Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a 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 (A) | Alpha-1-antichymotrypsin | polymer | 369 | 41900.4 | 1 | UniProt (P01011) Pfam (PF00079) | Homo sapiens (Human) | ACT,Cell growth-inhibiting gene 24/25 protein,Serpin A3 |
| 2 | B (B) | Alpha-1-antichymotrypsin | polymer | 40 | 4720.6 | 1 | UniProt (P01011) | Homo sapiens (Human) | ACT,Cell growth-inhibiting gene 24/25 protein,Serpin A3 |
| 3 | C (A) | DOXORUBICIN | non-polymer | 543.5 | 1 | Chemie (DM2) PubChem (23637978) PubChem (71199382) PubChem (24871487) PubChem (17572077) PubChem (44286103) PubChem (45039140) PubChem (45039115) PubChem (44119991) PubChem (58599010) PubChem (58648994) PubChem (44307587) PubChem (44784745) PubChem (66728492) PubChem (68247330) PubChem (31703) PubChem (3246615) PubChem (92249481) PubChem (51340272) PubChem (118547678) PubChem (121459604) PubChem (6916127) PubChem (53298795) PubChem (53298798) PubChem (53487962) PubChem (124583220) PubChem (124535760) PubChem (129010031) PubChem (132241129) PubChem (11713633) PubChem (135228351) PubChem (56841075) PubChem (57156654) PubChem (15558384) PubChem (15558393) PubChem (15558400) PubChem (15558397) PubChem (15558396) PubChem (15558404) PubChem (15940176) PubChem (155096397) PubChem (57654443) PubChem (57676190) PubChem (57684283) PubChem (162148270) PubChem (162981689) PubChem (58166317) PubChem (58641042) PubChem (58918741) PubChem (59360012) PubChem (59392534) PubChem (66509033) PubChem (66687678) PubChem (67476623) PubChem (68031993) PubChem (68652619) PubChem (69505664) PubChem (70791143) PubChem (89728269) PubChem (89728271) PubChem (89802959) PubChem (89848182) PubChem (89955946) PubChem (89970500) PubChem (91091768) PubChem (92209262) PubChem (92209263) PubChem (92402748) PubChem (92849511) PubChem (92849512) PubChem (155908452) PubChem (100967544) PubChem (102361707) PubChem (118459001) PubChem (1691) PubChem (122172883) PubChem (32875) PubChem (41867) PubChem (83979) PubChem (151537) PubChem (153517) PubChem (124289489) PubChem (124535759) PubChem (124785323) PubChem (3085300) PubChem (3246521) PubChem (71113872) PubChem (5706446) PubChem (6604382) PubChem (6711224) PubChem (6713707) PubChem (129010226) PubChem (129069944) PubChem (11295712) PubChem (130250494) PubChem (15558386) PubChem (15558389) PubChem (15558390) PubChem (15558391) PubChem (15558395) PubChem (15558402) PubChem (15558405) PubChem (15558406) PubChem (135219625) PubChem (138392495) PubChem (145978921) PubChem (146981399) PubChem (153419025) PubChem (157179210) PubChem (145082776) PubChem (162981688) PubChem (173942463) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 259 | Chemie (HOH) |
Sequence modifications
A: 3 - 360 (UniProt: P01011)
B: 361 - 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 |
| 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 | Ser 384 | engineered mutation |
| Pro 362 | Ala 385 | 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 | 46621.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 543.5 | |
| All* | Total formula weight | 47164.5 |
