6TZ8
Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, D) | Serine/threonine-protein phosphatase 2B catalytic subunit A1 | polymer | 390 | 45253.3 | 2 | UniProt (O42773) Pfam (PF00149) | Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487) | Calcineurin A1 |
| 2 | B, E (B, E) | Calcineurin subunit B | polymer | 175 | 19700.3 | 2 | UniProt (J9VL81) Pfam (PF13499) | Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487) | |
| 3 | C, F (C, F) | FK506-binding protein 1 | polymer | 122 | 13333.1 | 2 | UniProt (O94746) Pfam (PF00254) | Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487) | FKBP,Peptidyl-prolyl cis-trans isomerase,PPIase,Rapamycin-binding protein |
| 4 | G, J, P (A, D) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | H, Q (A, D) | FE (III) ION | non-polymer | 55.8 | 2 | Chemie (FE) | |||
| 6 | I, R (A, D) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | K, L, M, N, S... (B, E) | CALCIUM ION | non-polymer | 40.1 | 8 | Chemie (CA) | |||
| 8 | O, W (C, F) | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | non-polymer | 804.0 | 2 | Chemie (FK5) | |||
| 9 | AA, X, Y, Z (E, A, B, D) | water | water | 18.0 | 9 | Chemie (HOH) |
Sequence modifications
A, D: 34 - 402 (UniProt: O42773)
C, F: 2 - 108 (UniProt: O94746)
| PDB | External Database | Details |
|---|---|---|
| Met 13 | - | expression tag |
| Gly 14 | - | expression tag |
| Ser 15 | - | expression tag |
| Ser 16 | - | expression tag |
| His 17 | - | expression tag |
| His 18 | - | expression tag |
| His 19 | - | expression tag |
| His 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| Ser 23 | - | expression tag |
| Ser 24 | - | expression tag |
| Gly 25 | - | expression tag |
| Glu 26 | - | expression tag |
| Asn 27 | - | expression tag |
| Leu 28 | - | expression tag |
| Tyr 29 | - | expression tag |
| Phe 30 | - | expression tag |
| Gln 31 | - | expression tag |
| Gly 32 | - | expression tag |
| Ser 33 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met -9 | - | expression tag |
| Trp -8 | - | expression tag |
| Ser -7 | - | expression tag |
| His -6 | - | expression tag |
| Pro -5 | - | expression tag |
| Gln -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Glu -2 | - | expression tag |
| Lys -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Lys 9 | Ser 9 | engineered mutation |
| Glu 10 | Ala 10 | conflict |
| Asn 12 | Asp 12 | conflict |
| Val 14 | Lys 14 | engineered mutation |
| Asp 15 | Thr 15 | conflict |
| Lys 16 | Phe 16 | conflict |
| Val 18 | Gln 18 | conflict |
| Lys 19 | Pro 19 | conflict |
| Leu 69 | Val 69 | conflict |
| Glu 71 | Gln 71 | conflict |
| Ser 109 | - | expression tag |
| Lys 110 | - | expression tag |
| Arg 111 | - | expression tag |
| Ala 112 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 156573.3 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2459.4 | |
| All* | Total formula weight | 159032.6 |
