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F-actin-ADP complex structure

Analyse F-actin-ADP complex structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7BT7
Type: protein
Length: 1,850 residues
Chains: 5
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Actin, alpha skeletal muscle
UniProt: P68139
Ligands: ADP, MG
Pockets: 17 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 36% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E	Actin, alpha skeletal muscle	protein	370	36% helix, 17% strand	P68139

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

17 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	683	0.82	0.86	102	empty
2	231	0.78	0.92	42	MG, ADP
3	265	0.77	0.90	45	MG, ADP
4	225	0.75	0.90	48	MG, ADP
5	256	0.74	0.88	43	MG, ADP

Interfaces

7 interfaces between chains.

C–E · 1237 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 1220 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 1208 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 477 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 469 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

7BT7 · F-actin-ADP complex structure · the same entry in another collection · chain E against E, TM-score 1.00
P68139 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68139) · a predicted model of the same protein · chain A 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 7BT7 · PDBe 7BT7 · UniProt P68139

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