5MI7
BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | O-GlcNAcase BT_4395 | polymer | 727 | 83601.5 | 1 | UniProt (Q89ZI2) Pfam (PF02838) Pfam (PF07555) Pfam (PF21809) Pfam (PF18344) | Bacteroides thetaiotaomicron VPI-5482 | Beta-N-acetylglucosaminidase,Beta-N-acetylhexosaminidase,Beta-hexosaminidase,Hexosaminidase B,N-acetyl-beta-glucosaminidase |
| 2 | B (A) | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | non-polymer | 353.3 | 1 | Chemie (OAN) | |||
| 3 | C (A) | ~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide | non-polymer | 292.4 | 1 | Chemie (7NT) | |||
| 4 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 5 | E (A) | water | water | 18.0 | 141 | Chemie (HOH) |
Sequence modifications
A: 2 - 716 (UniProt: Q89ZI2)
| PDB | External Database | Details |
|---|---|---|
| Met -10 | - | initiating methionine |
| Gly -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Ser -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 |
| Gln 0 | - | expression tag |
| Trp 1 | - | expression tag |
| Ser 420 | Cys 441 | engineered mutation |
| Cys 550 | Tyr 571 | engineered mutation |
| Ser 654 | Cys 675 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 83601.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 685.8 | |
| All* | Total formula weight | 84287.2 |
