4ZHX
Novel binding site for allosteric activation of AMPK
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | polymer | 565 | 63918.1 | 2 | UniProt (P54646) Pfam (PF00069) Pfam (PF21147) Pfam (PF16579) | Homo sapiens (Human) | AMPK subunit alpha-2,Acetyl-CoA carboxylase kinase,ACACA kinase,Hydroxymethylglutaryl-CoA reductase kinase,HMGCR kinase |
| 2 | B, D (B, D) | 5'-AMP-activated protein kinase subunit beta-1 | polymer | 270 | 30504.3 | 2 | UniProt (Q9Y478) Pfam (PF16561) Pfam (PF04739) | Homo sapiens (Human) | AMPKb |
| 3 | E, F (E, F) | 5'-AMP-activated protein kinase subunit gamma-1 | polymer | 336 | 38225.9 | 2 | UniProt (P54619) Pfam (PF00571) | Homo sapiens (Human) | AMPKg |
| 4 | G, I (A, C) | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol | non-polymer | 470.6 | 2 | Chemie (4O7) PubChem (118796339) | |||
| 5 | H, J (B, C) | 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile | non-polymer | 360.4 | 2 | Chemie (C1V) PubChem (54708532) | |||
| 6 | K, L (E) | 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid | non-polymer | 231.1 | 2 | Chemie (C2Z) | |||
| 7 | M, N (F) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (34768) PubChem (83862) PubChem (40467049) PubChem (40469468) PubChem (446048) PubChem (44348067) PubChem (45358029) PubChem (40459109) PubChem (515384) PubChem (46874558) PubChem (638042) PubChem (46875232) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (5316444) PubChem (5742864) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (12163610) PubChem (12358355) PubChem (92144436) PubChem (122197642) PubChem (12358354) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 8 | O, P, Q, R, S... (A, B, C, D, E...) | water | water | 18.0 | 137 | Chemie (HOH) |
Sequence modifications
A, C: 2 - 552 (UniProt: P54646)
E, F: 2 - 331 (UniProt: P54619)
| PDB | External Database | Details |
|---|---|---|
| Met -12 | - | initiating methionine |
| Gly -11 | - | expression tag |
| Ser -10 | - | expression tag |
| Ser -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Asp 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Gly 271 | Asp 271 | variant |
| PDB | External Database | Details |
|---|---|---|
| Met -4 | - | initiating methionine |
| Ala -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Asn 0 | - | expression tag |
| Trp 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 265296.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2818.5 | |
| All* | Total formula weight | 268115.1 |
