6CXS
Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Beta-glucuronidase | polymer | 602 | 69087.1 | 2 | UniProt (Q8XP19) Pfam (PF02837) Pfam (PF00703) Pfam (PF02836) In PDB | Clostridium perfringens (strain 13 / Type A) | |
2 | C, D | Maltose/maltodextrin-binding periplasmic protein | polymer | 398 | 43993.2 | 2 | UniProt (P0AEX9) Pfam (PF01547) In PDB | Escherichia coli | MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP |
3 | A, B | 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine | non-polymer | 411.5 | 2 | Chemie (FJV) | |||
4 | water | water | 18.0 | 345 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 599 (UniProt: Q8XP19)
C, D: 3 - 368 (UniProt: P0AEX9)
PDB | External Database | Details |
---|---|---|
Ser -2 | - | expression tag |
Asn -1 | - | expression tag |
Ala 0 | - | expression tag |
PDB | External Database | Details |
---|---|---|
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
His 1 | - | expression tag |
Gly 2 | - | expression tag |
Asn 369 | - | expression tag |
Ser 370 | - | expression tag |
Ser 371 | - | expression tag |
Ser 372 | - | expression tag |
Asn 373 | - | expression tag |
Asn 374 | - | expression tag |
Asn 375 | - | expression tag |
Asn 376 | - | expression tag |
Asn 377 | - | expression tag |
Asn 378 | - | expression tag |
Asn 379 | - | expression tag |
Asn 380 | - | expression tag |
Asn 381 | - | expression tag |
Asn 382 | - | expression tag |
Arg 383 | - | expression tag |
Asp 384 | - | expression tag |
Leu 385 | - | expression tag |
Gly 386 | - | expression tag |
Thr 387 | - | expression tag |
Glu 388 | - | expression tag |
Asn 389 | - | expression tag |
Leu 390 | - | expression tag |
Tyr 391 | - | expression tag |
Phe 392 | - | expression tag |
Gln 393 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 226160.7 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 823.0 | |
All* | Total formula weight | 226983.8 |