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) PubChem (29936) | |||
| 6 | F (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 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) PubChem (271) | |||
| 9 | L (C) | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | non-polymer | 804.0 | 1 | Chemie (FK5) PubChem (23377000) PubChem (177746942) PubChem (23308325) PubChem (23581796) PubChem (24978521) PubChem (44294761) PubChem (44314852) PubChem (44575549) PubChem (46783859) PubChem (46781577) PubChem (49874294) PubChem (54611630) PubChem (57417278) PubChem (57892354) PubChem (57910335) PubChem (58584114) PubChem (59032416) PubChem (58946030) PubChem (59141120) PubChem (59049316) PubChem (59974193) PubChem (59993548) PubChem (60035606) PubChem (66709866) PubChem (67340654) PubChem (67626881) PubChem (68219140) PubChem (68712665) PubChem (69247758) PubChem (176478128) PubChem (176856280) PubChem (177675132) PubChem (5372) PubChem (57206900) PubChem (64779) PubChem (445643) PubChem (77906388) PubChem (89249909) PubChem (89545901) PubChem (89960652) PubChem (59042420) PubChem (59111253) PubChem (59112447) PubChem (59118415) PubChem (145857191) PubChem (59746606) PubChem (117646237) PubChem (6426916) PubChem (6436007) PubChem (6473866) PubChem (59917266) PubChem (59918741) PubChem (60086106) PubChem (66509027) PubChem (66672804) PubChem (123552884) PubChem (9832283) PubChem (9853905) PubChem (125039862) PubChem (9918805) PubChem (125136698) PubChem (125136697) PubChem (9963169) PubChem (129009965) PubChem (129010422) PubChem (130330191) PubChem (131676819) PubChem (133562888) PubChem (133688365) PubChem (11556866) PubChem (134694629) PubChem (71296869) PubChem (71316759) PubChem (71668407) PubChem (73265325) PubChem (12134936) PubChem (13006299) PubChem (137705868) PubChem (138106951) PubChem (138574020) PubChem (89068341) PubChem (140494820) PubChem (13819070) PubChem (140647114) PubChem (13819074) PubChem (13819069) PubChem (140893615) PubChem (149048732) PubChem (403209) PubChem (439492) PubChem (160433486) PubChem (162711219) PubChem (163027397) PubChem (163027399) PubChem (163027400) PubChem (166023667) PubChem (168312998) PubChem (170277719) PubChem (171042252) PubChem (171360199) PubChem (172042935) PubChem (173882479) PubChem (124511204) PubChem (5353987) PubChem (5472317) PubChem (125039860) PubChem (125039861) PubChem (125136699) PubChem (125136700) PubChem (125182986) PubChem (126687738) PubChem (6536850) PubChem (6610362) PubChem (129606865) PubChem (6912836) PubChem (131668141) PubChem (9940643) PubChem (137546410) PubChem (137546581) PubChem (138574025) PubChem (139032034) PubChem (140652196) PubChem (143265740) PubChem (144640477) PubChem (146323807) PubChem (13819073) PubChem (156417380) PubChem (156528350) PubChem (160433487) PubChem (163027398) PubChem (163027401) PubChem (163027402) PubChem (167413568) PubChem (170997009) PubChem (171122179) PubChem (171137683) PubChem (171156312) PubChem (171322980) PubChem (171329370) PubChem (172634670) PubChem (175667550) | |||
| 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 |
