4QFS
Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | polymer | 503 | 57779.1 | 1 | UniProt (P54645) Pfam (PF00069) Pfam (PF21147) Pfam (PF16579) | Rattus norvegicus (brown rat rat rats) | AMPK subunit alpha-1, Acetyl-CoA carboxylase kinase, ACACA kinase, Hydroxymethylglutaryl-CoA reductase kinase, HMGCR kinase, Tau-protein kinase PRKAA1 |
| 2 | B (B) | 5'-AMP-activated protein kinase subunit beta-1 | polymer | 204 | 23045.3 | 1 | UniProt (P80386) Pfam (PF16561) Pfam (PF04739) | Rattus norvegicus (brown rat rat rats) | AMPK subunit beta-1, AMPKb, 5'-AMP-activated protein kinase 40 kDa subunit |
| 3 | C (C) | 5'-AMP-activated protein kinase subunit gamma-1 | polymer | 330 | 37434.1 | 1 | UniProt (P80385) Pfam (PF00571) | Rattus norvegicus (brown rat rat rats) | AMPK gamma1, AMPK subunit gamma-1, AMPKg |
| 4 | D (A) | STAUROSPORINE | non-polymer | 466.5 | 1 | Chemie (STU) | |||
| 5 | E (A) | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile | non-polymer | 426.1 | 1 | Chemie (32H) | |||
| 6 | F, G, H, I, J (A, B) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 7 | K (C) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 1 | Chemie (AMP) | |||
| 8 | L, M (C) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) |
Sequence modifications
A: 0 - 468 (UniProt: P54645)
A: 525 - 548 (UniProt: P54645)
B: 68 - 270 (UniProt: P80386)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 517 | - | SEE REMARK 999 |
| Ser 518 | - | SEE REMARK 999 |
| Gly 519 | - | SEE REMARK 999 |
| Gly 520 | - | SEE REMARK 999 |
| Pro 521 | - | SEE REMARK 999 |
| Gly 522 | - | SEE REMARK 999 |
| Gly 523 | - | SEE REMARK 999 |
| Ser 524 | - | SEE REMARK 999 |
| PDB | External Database | Details |
|---|---|---|
| Met 67 | - | expression tag |
| Asp 108 | Ser 108 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 118258.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1609.2 | |
| All* | Total formula weight | 119867.7 |
