6TZ7
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein phosphatase 2B catalytic subunit | polymer | 388 | 44895.0 | 1 | UniProt (Q4WUR1) Pfam (PF00149) | Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) | Calmodulin-dependent calcineurin A subunit |
| 2 | B (B) | Calcineurin Ca2+-binding regulatory subunit CnaB | polymer | 174 | 19692.1 | 1 | UniProt (Q4WDF2) Pfam (PF13499) | Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) | |
| 3 | C (C) | FK506-binding protein 1A | polymer | 127 | 13956.7 | 1 | UniProt (Q4WLV6) Pfam (PF00254) | Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) | FKBP,Peptidyl-prolyl cis-trans isomerase,PPIase,Rapamycin-binding protein |
| 4 | D (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | E (A) | FE (III) ION | non-polymer | 55.8 | 1 | Chemie (FE) | |||
| 6 | F (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 7 | G, H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 8 | I, J, K (B) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 9 | L (C) | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | non-polymer | 804.0 | 1 | Chemie (FK5) | |||
| 10 | M, N, O (A, B, C) | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A: 2 - 370 (UniProt: Q4WUR1)
B: 21 - 193 (UniProt: Q4WDF2)
C: 2 - 112 (UniProt: Q4WLV6)
| PDB | External Database | Details |
|---|---|---|
| Met -17 | - | expression tag |
| Gly -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Ser -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| Ser -7 | - | expression tag |
| Ser -6 | - | expression tag |
| Gly -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Val -3 | - | expression tag |
| Pro -2 | - | expression tag |
| Arg -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 20 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met -14 | - | expression tag |
| Gly -13 | - | expression tag |
| Leu -12 | - | expression tag |
| Asn -11 | - | expression tag |
| Asp -10 | - | expression tag |
| Ile -9 | - | expression tag |
| Phe -8 | - | expression tag |
| Glu -7 | - | expression tag |
| Ala -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Lys -4 | - | expression tag |
| Ile -3 | - | expression tag |
| Glu -2 | - | expression tag |
| Trp -1 | - | expression tag |
| His 0 | - | expression tag |
| Glu 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 78543.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1264.6 | |
| All* | Total formula weight | 79808.4 |
