6QF7
Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Maltodextrin-binding protein | polymer | 374 | 40560.9 | 2 | UniProt (A0A376KDN7) | Escherichia coli | |
| 2 | B, D (B, D) | Coagulation factor XII | polymer | 254 | 27175.6 | 2 | UniProt (P00748) Pfam (PF00089) | Homo sapiens (Human) | Hageman factor,HAF |
| 3 | E (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | F, G (F, G) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 2 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 5 | H (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 6 | I, J (B, D) | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | non-polymer | 454.0 | 2 | BIRD (PRD_000020) Chemie (0G6) |
Sequence modifications
A, C: 0 - 367 (UniProt: A0A376KDN7)
B, D: 334 - 593 (UniProt: P00748)
| PDB | External Database | Details |
|---|---|---|
| Arg -1 | - | expression tag |
| Ser 0 | Ala 26 | conflict |
| Ala 82 | Asp 108 | conflict |
| Ala 83 | Lys 109 | conflict |
| Ala 172 | Glu 198 | conflict |
| Ala 173 | Asn 199 | conflict |
| Ala 239 | Lys 265 | conflict |
| Ala 362 | Lys 388 | conflict |
| Ala 363 | Asp 389 | conflict |
| Asn 367 | Arg 393 | conflict |
| Ala 368 | - | expression tag |
| Ala 369 | - | expression tag |
| Ala 370 | - | expression tag |
| Ala 371 | - | expression tag |
| Ser 372 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 330 | - | expression tag |
| Ala 331 | - | expression tag |
| Ala 332 | - | expression tag |
| Ala 333 | - | expression tag |
| Ser 334 | Thr 352 | conflict |
| Glu 335 | Arg 353 | conflict |
| Phe 336 | Asn 354 | conflict |
| - | Leu 363 | deletion |
| - | Arg 364 | deletion |
| - | Lys 365 | deletion |
| - | Ser 366 | deletion |
| - | Leu 367 | deletion |
| - | Ser 368 | deletion |
| - | Ser 369 | deletion |
| - | Met 370 | deletion |
| - | Thr 371 | deletion |
| - | Arg 372 | deletion |
| - | Gln 572 | deletion |
| - | Ala 573 | deletion |
| - | Ala 574 | deletion |
| - | Glu 575 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 135472.9 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1109.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1129.2 | |
| All* | Total formula weight | 137711.1 |
