MolNFT v1 · #11338 · protein

Crystal structure of mouse neuroserpin (cleaved form)

1JJO: “Crystal structure of mouse neuroserpin (cleaved form)”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #11338 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JJO
Type: protein
Length: 634 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuroserpin
UniProt: O35684
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Neuroserpin	protein	40	48% helix, 8% strand	O35684
C, D	Neuroserpin	protein	244	18% helix, 38% strand	O35684
E, F	Neuroserpin	protein	33	0% helix, 52% strand	O35684

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	729	0.78	0.82	59	empty
2	488	0.71	0.80	66	empty
3	98	0.39	0.76	24	empty
4	73	0.32	0.74	18	empty

Interfaces

11 interfaces between chains.

C–E · 2030 Å² buried · 22 hydrogen bonds · protein-protein
D–F · 2025 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 1462 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 1456 Å² buried · 10 hydrogen bonds · protein-protein
B–F · 692 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

1JJO · Crystal Structure of Mouse Neuroserpin (Cleaved form) · the same entry in another collection · chain F against F, TM-score 1.00
O35684 · AlphaFold monomer V2.0 prediction for neuroserpin (O35684) · a predicted model of the same protein · chain E 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 O35684
Elsewhere: RCSB PDB 1JJO · PDBe 1JJO · UniProt O35684

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