6D67
Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1 | polymer | 520 | 57103.6 | 1 | UniProt (P0AEX9) UniProt (P28562) Pfam (PF01547) Pfam (PF00782) | Escherichia coli (strain K12) | MBP,MMBP,Maltodextrin-binding protein,Dual specificity protein phosphatase hVH1,Mitogen-activated protein kinase phosphatase 1,MKP-1,Protein-tyrosine phosphatase CL100 |
| 2 | B (B) | Designed AR protein mbp3_16 | polymer | 136 | 14787.5 | 1 | synthetic construct | ||
| 3 | C (C) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 4 | D (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | E (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 6 | F, G, H (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 7 | I, J (A, B) | water | water | 18.0 | 80 | Chemie (HOH) |
Sequence modifications
A: 2 - 366 (UniProt: P0AEX9)
A: 372 - 514 (UniProt: P28562)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Ala 83 | Asp 108 | engineered mutation |
| Ala 84 | Lys 109 | engineered mutation |
| Ala 173 | Glu 198 | engineered mutation |
| Ala 174 | Asn 199 | engineered mutation |
| Ala 240 | Lys 265 | engineered mutation |
| Ala 360 | Glu 385 | engineered mutation |
| Ala 363 | Lys 388 | engineered mutation |
| Ala 364 | Asp 389 | engineered mutation |
| Thr 367 | - | linker |
| Asn 368 | - | linker |
| Ala 369 | - | linker |
| Ala 370 | - | linker |
| Ala 371 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ser 458 | Cys 258 | engineered mutation |
| His 515 | - | expression tag |
| His 516 | - | expression tag |
| His 517 | - | expression tag |
| His 518 | - | expression tag |
| His 519 | - | expression tag |
| His 520 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71891.1 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 387.3 | |
| All* | Total formula weight | 72620.7 |
