MolNFT v1 · #140241 · protein

Crystal structure of ankb ankyrin repeats R13-24 in complex with autoinhibition segment ai-C

5Y4F · Ankyrin-2: “Crystal structure of ankb ankyrin repeats R13-24 in complex with autoinhibition segment ai-C”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.40). MolNFT v1 #140241 on GenesisL1: 3D structure, binding…

PDB: 5Y4F
Type: protein
Length: 828 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ankyrin-2
UniProt: Q01484
Ligands: CA
Pockets: 3 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ankyrin-2	protein	415	48% helix, 0% strand	Q01484
B	Ankyrin-2	protein	413	48% helix, 0% strand	Q01484

Ligands and binding sites

CA · Calcium ion · metal · chains B
ACT · Acetate ion · additive · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.40	0.78	19	empty
2	73	0.36	0.77	18	empty
3	51	0.26	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 439 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5Y4F · Crystal Structure of AnkB Ankyrin Repeats R13-24 in complex with autoinhibition segment… · 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
Every structure of UniProt Q01484
Elsewhere: RCSB PDB 5Y4F · PDBe 5Y4F · UniProt Q01484

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