MolNFT v1 · #165088 · protein

T. gondii myosin a trimeric complex

6TJ7 · Calmodulin, putative: “T. gondii myosin a trimeric complex”. X-ray diffraction, 2 ligands (CA, CL), 4 pockets (best druggability 0.45). MolNFT v1 #165088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TJ7
Type: protein
Length: 321 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin, putative; Myosin light chain TGMLC1; Myosin-a
UniProt: B9PZ33, Q95UJ7, O00934
Ligands: CA, CL
Pockets: 4 · best druggability 0.45

Structure

x-ray diffraction · 3 distinct chains · 63% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin, putative	protein	134	57% helix, 9% strand	B9PZ33
B	Myosin light chain TGMLC1	protein	145	62% helix, 8% strand	Q95UJ7
C	Myosin-a	protein	42	88% helix, 0% strand	O00934

Ligands and binding sites

CA · Calcium ion · metal · chains A
CL · Chloride ion · ion · chains B, C
PDO · 1,3-propandiol · additive · 2 copies · chains A
HEZ · Hexane-1,6-diol · additive · chains A
PG4 · Tetraethylene glycol · additive · chains A, C

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	113	0.45	0.78	15	empty
2	75	0.44	0.81	15	empty
3	83	0.33	0.74	14	empty
4	59	0.31	0.76	16	empty

Interfaces

3 interfaces between chains.

B–C · 1344 Å² buried · 24 hydrogen bonds · protein-protein
A–C · 1262 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 432 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6TJ7 · T. gondii myosin A trimeric complex · the same entry in another collection · chain A against A, TM-score 1.00
O00934 · AlphaFold monomer V2.0 prediction for myosin-a (O00934) · a predicted model of the same protein · chain C against A, TM-score 0.86

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 B9PZ33
Every structure of UniProt Q95UJ7
Every structure of UniProt O00934
Elsewhere: RCSB PDB 6TJ7 · PDBe 6TJ7 · UniProt B9PZ33 · UniProt Q95UJ7 · UniProt O00934

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