MolNFT v1 · #13433 · protein

Aplysia ADP ribosyl cyclase

1LBE: “Aplysia ADP ribosyl cyclase”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #13433 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1LBE
Type: protein
Length: 498 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ADP ribosyl cyclase
EC: 3.2.2.5
UniProt: P29241
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ADP ribosyl cyclase (EC 3.2.2.5)	protein	250	40% helix, 12% strand	P29241
B	ADP ribosyl cyclase (EC 3.2.2.5)	protein	248	39% helix, 13% strand	P29241

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	905	0.78	0.80	67	empty
2	438	0.68	0.79	48	empty
3	387	0.66	0.79	42	empty
4	52	0.30	0.76	11	empty

Interfaces

1 interface between chains.

A–B · 1352 Å² buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

1LBE · Aplysia ADP ribosyl cyclase · the same entry in another collection · chain A against A, TM-score 1.00
P29241 · AlphaFold monomer V2.0 prediction for ADP-ribosyl CYCLASE/CYCLIC ADP- ribose hydrolase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P29241
Elsewhere: RCSB PDB 1LBE · PDBe 1LBE · UniProt P29241

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