6HGM
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III-allo: an allosterically controlled new binding globulin with an unprecedentedly high ligand release efficacy
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 | 41983.6 | 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, D, E (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | F, G, H (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | I, J (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 413 | 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 |
| Val 55 | Leu 78 | engineered mutation |
| Gln 242 | Glu 265 | engineered mutation |
| Asn 244 | Lys 267 | engineered mutation |
| Val 251 | Ala 274 | engineered mutation |
| Phe 252 | Leu 275 | 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 |
| Arg 349 | Ala 372 | 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 | 46732.2 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 350.7 | |
| All* | Total formula weight | 47082.9 |
