MolNFT v1 · #42373 · protein

Haddock structure of the talin F3 domain in complex with talin 1655- 1822

2KGX · Talin-1: “Haddock structure of the talin F3 domain in complex with talin 1655- 1822”. Solution nmr, 3 pockets (best druggability 0.73). MolNFT v1 #42373 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2KGX
Type: protein
Length: 265 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Talin-1; MKIAA1027 protein
UniProt: P26039, Q80TM2
Pockets: 3 · best druggability 0.73

Structure

solution nmr · 2 distinct chains · 58% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Talin-1	protein	174	79% helix, 0% strand	P26039
B	MKIAA1027 protein	protein	91	18% helix, 45% strand	Q80TM2

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	82	0.73	0.96	18	empty
2	53	0.71	0.97	17	empty
3	220	0.56	0.79	30	empty

Interfaces

1 interface between chains.

A–B · 1017 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

2KGX · HADDOCK structure of the talin F3 domain in complex with talin 1655-1822 · the same entry in another collection · chain A against A, TM-score 1.00
P26039 · AlphaFold monomer V2.0 prediction for talin-1 (P26039) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 P26039
Every structure of UniProt Q80TM2
Elsewhere: RCSB PDB 2KGX · PDBe 2KGX · UniProt P26039 · UniProt Q80TM2

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