MolNFT v1 · #157672 · protein

Crystal structure of abin-1 uban

6N6S · TNFAIP3-interacting protein 1: “Crystal structure of abin-1 uban”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #157672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6N6S
Type: protein
Length: 267 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TNFAIP3-interacting protein 1
UniProt: Q9WUU8
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 4 distinct chains · 97% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	TNFAIP3-interacting protein 1	protein	65	95% helix, 0% strand	Q9WUU8
D	TNFAIP3-interacting protein 1	protein	69	97% helix, 0% strand	Q9WUU8
A	TNFAIP3-interacting protein 1	protein	65	97% helix, 0% strand	Q9WUU8
C	TNFAIP3-interacting protein 1	protein	68	97% helix, 0% strand	Q9WUU8

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	115	0.57	0.84	20	empty
2	159	0.46	0.76	23	empty
3	63	0.43	0.82	16	empty

Interfaces

5 interfaces between chains.

B–D · 1776 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 1749 Å² buried · 5 hydrogen bonds · protein-protein
D–C · 445 Å² buried · 4 hydrogen bonds · protein-protein
D–A · 240 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 217 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6N6S · Crystal structure of ABIN-1 UBAN · the same entry in another collection · chain C against C, TM-score 1.00
Q9WUU8 · AlphaFold monomer V2.0 prediction for TNFAIP3-interacting protein 1 (Q9WUU8) · a predicted model of the same protein · chain B against A, TM-score 0.90

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 Q9WUU8
Elsewhere: RCSB PDB 6N6S · PDBe 6N6S · UniProt Q9WUU8

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