6M4W
Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 405 | 44074.9 | 3 | UniProt (P0AEX9) UniProt (P62942) Pfam (PF01547) | Escherichia coli K-12 | MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP,PPIase FKBP1A,12 kDa FK506-binding protein,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 2 | D, E, F (D, E, F) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 76 | 8486.7 | 3 | UniProt (P62942) Pfam (PF00254) | Homo sapiens (Human) | PPIase FKBP1A,12 kDa FK506-binding protein,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 3 | G, H, I (G, H, I) | Serine/threonine-protein kinase mTOR | polymer | 95 | 11447.1 | 3 | UniProt (P42345) Pfam (PF08771) | Homo sapiens (Human) | Mammalian target of rapamycin,mTOR,Mechanistic target of rapamycin |
| 4 | J, K, L (J, K, L) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 3 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 5 | M, N, O (D, E, F) | RAPAMYCIN IMMUNOSUPPRESSANT DRUG | non-polymer | 914.2 | 3 | Chemie (RAP) | |||
| 6 | P (G) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | Q, R, S, T, U... (A, B, C, D, E...) | water | water | 18.0 | 191 | Chemie (HOH) |
Sequence modifications
A, B, C: -369 - -4 (UniProt: P0AEX9)
A, B, C: 1 - 32 (UniProt: P62942)
G, H, I: 2021 - 2113 (UniProt: P42345)
| PDB | External Database | Details |
|---|---|---|
| Gly -372 | - | linker |
| Ser -371 | - | linker |
| Met -370 | - | linker |
| Ala -288 | Asp 108 | engineered mutation |
| Ala -287 | Lys 109 | engineered mutation |
| Ala -198 | Glu 198 | engineered mutation |
| Ala -197 | Asn 199 | engineered mutation |
| Ala -131 | Lys 265 | engineered mutation |
| Asn -3 | - | linker |
| Ala -2 | - | linker |
| Ala -1 | - | linker |
| Ala 0 | - | linker |
G, H, I: 2021 - 2113 (UniProt: P42345)
| PDB | External Database | Details |
|---|---|---|
| Gly 2019 | - | expression tag |
| Ser 2020 | - | expression tag |
| Leu 2098 | Thr 2098 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 9 |
| Total formula weight | 192026.1 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1026.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2834.6 | |
| All* | Total formula weight | 195887.6 |
