6D66
Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion 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 | Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1 | polymer | 520 | 57103.6 | 1 | UniProt (P0AEX9) UniProt (P28562) Pfam (PF01547) Pfam (PF00782) In PDB | 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 | Designed AR protein mbp3_16 | polymer | 136 | 14787.5 | 1 | synthetic construct | ||
3 | A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
4 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
5 | A | GLYCINE | non-polymer | 75.1 | 3 | Chemie (GLY) | |||
6 | A | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 3 | Chemie (PGE) | |||
7 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
8 | A | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
9 | B | D-ALANINE | non-polymer | 89.1 | 1 | Chemie (DAL) | |||
10 | water | water | 18.0 | 307 | 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 | |
Non-Polymers* | Number of molecules | 24 |
Total formula weight | 2117.2 | |
All* | Total formula weight | 74008.3 |