MolNFT v1 · #155404 · protein

HASIC1A co-crystallized with mamb-1

6L6I · Acid-sensing ion channel 1: “HASIC1A co-crystallized with mamb-1”. X-ray diffraction, 1 ligand (NAG), 19 pockets (best druggability 0.86). MolNFT v1 #155404 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6L6I
Type: protein
Length: 1,281 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acid-sensing ion channel 1
UniProt: P78348
Ligands: NAG
Pockets: 19 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acid-sensing ion channel 1	protein	428	37% helix, 24% strand	P78348
B	Acid-sensing ion channel 1	protein	443	38% helix, 23% strand	P78348
C	Acid-sensing ion channel 1	protein	410	35% helix, 25% strand	P78348

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C

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

Pockets

19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	885	0.86	0.88	109	empty
2	799	0.83	0.85	70	empty
3	409	0.82	0.90	59	empty
4	514	0.79	0.86	62	empty
5	145	0.78	0.95	42	empty

Interfaces

3 interfaces between chains.

A–B · 2786 Å² buried · 21 hydrogen bonds · protein-protein
B–C · 2486 Å² buried · 26 hydrogen bonds · protein-protein
A–C · 2373 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

6L6I · hASIC1a co-crystallized with Mamb-1 · the same entry in another collection · chain C against C, TM-score 1.00
P78348 · AlphaFold monomer V2.0 prediction for acid-sensing ion channel 1 (P78348) · a predicted model of the same protein · chain C against A, TM-score 0.95

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 P78348
Elsewhere: RCSB PDB 6L6I · PDBe 6L6I · UniProt P78348

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