MolNFT v1 · #31201 · protein

Protein-peptide complex

2AN6 · Ubiquitin ligase SIAH1A: “Protein-peptide complex”. X-ray diffraction, 1 ligand (ZN), 12 pockets (best druggability 0.71). MolNFT v1 #31201 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2AN6
Type: protein
Length: 808 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin ligase SIAH1A; Peptide from phyllopod
EC: 6.3.2.-
UniProt: P61092
Ligands: ZN
Pockets: 12 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Ubiquitin ligase SIAH1A (EC 6.3.2.-)	protein	191	23% helix, 43% strand	P61092
E, F, G, H	Peptide from phyllopod	protein	11	0% helix, 45% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 8 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	882	0.71	0.76	86	empty
2	419	0.69	0.81	40	empty
3	575	0.66	0.76	67	empty
4	370	0.62	0.77	40	empty
5	101	0.47	0.80	22	empty

Interfaces

11 interfaces between chains.

C–D · 1121 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1102 Å² buried · 18 hydrogen bonds · protein-protein
B–F · 654 Å² buried · 12 hydrogen bonds · protein-protein
C–G · 648 Å² buried · 13 hydrogen bonds · protein-protein
D–H · 628 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

2AN6 · Protein-peptide complex · the same entry in another collection · chain H against H, TM-score 1.00
P61092 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase SIAH1A (P61092) · 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 P61092
Elsewhere: RCSB PDB 2AN6 · PDBe 2AN6 · UniProt P61092

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