MolNFT v1 · #38416 · protein

Spvb ADP-ribosylated actin: orthorhombic crystal form

2GWK · Actin, alpha skeletal muscle: “Spvb ADP-ribosylated actin: orthorhombic crystal form”. X-ray diffraction, 2 ligands (ATP, CA), 3 pockets (best druggability 0.75). MolNFT v1 #38416 on GenesisL1: 3D structure, binding sites and…

PDB: 2GWK
Type: protein
Length: 728 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Actin, alpha skeletal muscle
UniProt: P68135
Ligands: ATP, CA
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Actin, alpha skeletal muscle	protein	362	44% helix, 20% strand	P68135
B	Actin, alpha skeletal muscle	protein	366	45% helix, 20% strand	P68135

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	947	0.75	0.78	83	empty
2	441	0.74	0.84	54	CA, ATP
3	471	0.73	0.82	57	CA, ATP

Interfaces

1 interface between chains.

A–B · 783 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 disulfide (methylation, disulfide).

Compared structures

2GWK · SpvB ADP-ribosylated actin: orthorhombic crystal form · the same entry in another collection · chain A against A, TM-score 1.00
P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · 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 P68135
Elsewhere: RCSB PDB 2GWK · PDBe 2GWK · UniProt P68135

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