MolNFT v1 · #174373 · protein

Phalloidin bound F-actin complex

7BTI · Actin, alpha skeletal muscle: “Phalloidin bound F-actin complex”. Electron microscopy, 2 ligands (ADP, MG), 15 pockets (best druggability 0.78). MolNFT v1 #174373 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BTI
Type: protein
Length: 1,860 residues
Chains: 8
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Actin, alpha skeletal muscle; Phalloidin
UniProt: P68139
Ligands: ADP, MG
Pockets: 15 · best druggability 0.78

Structure

electron microscopy · 3 distinct chains · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Actin, alpha skeletal muscle	protein	366	34% helix, 19% strand	P68139
B, C, D	Actin, alpha skeletal muscle	protein	369	34% helix, 19% strand	P68139
X, Y, Z	Phalloidin	protein	7	0% helix, 0% strand	—

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains A, B, C, D, E
MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	315	0.78	0.89	50	empty
2	315	0.78	0.89	44	empty
3	346	0.78	0.88	60	MG, ADP
4	260	0.76	0.89	42	MG, ADP
5	309	0.75	0.88	49	MG, ADP

Interfaces

16 interfaces between chains.

C–E · 1196 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 1162 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 1128 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 526 Å² buried · 4 hydrogen bonds · protein-protein
D–E · 516 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified (nonstandard, hydroxylation).

Compared structures

7BTI · Phalloidin bound F-actin complex · the same entry in another collection · chain Z against Z, TM-score 1.00
P68139 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68139) · a predicted model of the same protein · chain B against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P68139
Elsewhere: RCSB PDB 7BTI · PDBe 7BTI · UniProt P68139

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