6HGF
Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol
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 | 41849.4 | 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 | 4748.6 | 1 | UniProt (P01011) | Homo sapiens (Human) | ACT,Cell growth-inhibiting gene 24/25 protein,Serpin A3 |
| 3 | C, E (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | D (B) | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione | non-polymer | 362.5 | 1 | Chemie (HCY) PubChem (16757875) PubChem (16760505) PubChem (17749280) PubChem (18635646) PubChem (3640) PubChem (5754) PubChem (176519891) PubChem (22841298) PubChem (108888) PubChem (23766831) PubChem (16401107) PubChem (24867549) PubChem (40469544) PubChem (40469545) PubChem (40488894) PubChem (40543465) PubChem (40543468) PubChem (40543471) PubChem (40543474) PubChem (40776161) PubChem (44656583) PubChem (1768391) PubChem (1768392) PubChem (1768390) PubChem (46885418) PubChem (46907807) PubChem (657311) PubChem (50987195) PubChem (50987424) PubChem (969496) PubChem (56614803) PubChem (56635598) PubChem (1350204) PubChem (57232608) PubChem (3246033) PubChem (57536781) PubChem (59582250) PubChem (60111544) PubChem (5320346) PubChem (6603869) PubChem (6713680) PubChem (229860) PubChem (7048969) PubChem (7067813) PubChem (89693181) PubChem (8015711) PubChem (11279933) PubChem (1403277) PubChem (11869394) PubChem (11869395) PubChem (11869396) PubChem (12304007) PubChem (12304008) PubChem (12304009) PubChem (12304012) PubChem (12304023) PubChem (6336184) PubChem (101739542) PubChem (6981543) PubChem (7059531) PubChem (122664736) PubChem (12304018) PubChem (124351407) PubChem (124404247) PubChem (124514954) PubChem (124746079) PubChem (125037485) PubChem (129009993) PubChem (129010215) PubChem (132012242) PubChem (154825154) PubChem (159059490) PubChem (162927257) PubChem (162927258) PubChem (165944364) PubChem (166480825) PubChem (169428820) PubChem (172400002) PubChem (172873892) PubChem (173540535) | |||
| 5 | F, G (A, B) | water | water | 18.0 | 482 | 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 |
| Gln 242 | Glu 265 | engineered mutation |
| Asn 244 | Lys 267 | engineered mutation |
| Ser 269 | Leu 292 | engineered mutation |
| Arg 270 | Pro 293 | engineered mutation |
| Ala 274 | Lys 297 | engineered mutation |
| Gly 277 | Arg 300 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asp 382 | Pro 405 | engineered mutation |
| His 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 | 46598.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 486.6 | |
| All* | Total formula weight | 47084.7 |
