MolNFT v1 · #163663 · protein

Designed armadillo repeat protein internal LOCK2 fused to target peptide krkakitwkr

6S9P: “Designed armadillo repeat protein internal LOCK2 fused to target peptide krkakitwkr”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #163663 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6S9P
Type: protein
Length: 672 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Internal LOCK2 fused to target peptide krkakitwkr
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Internal LOCK2 fused to target peptide krkakitwkr	protein	338	72% helix, 0% strand	—
B	Internal LOCK2 fused to target peptide krkakitwkr	protein	334	75% helix, 0% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	850	0.73	0.78	82	empty
2	356	0.57	0.76	44	empty
3	67	0.36	0.77	14	empty
4	86	0.31	0.73	17	empty

Interfaces

1 interface between chains.

A–B · 654 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6S9P · Designed Armadillo Repeat protein internal Lock2 fused to target peptide KRKAKITWKR · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6S9P · PDBe 6S9P

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