MolNFT v1 · #121852 · protein

Crystal structure of SPLUNC1 disulfide mutant M2 (A48C, V253C)

5I7L · Bpi fold-containing family a member 1: “Crystal structure of SPLUNC1 disulfide mutant M2 (A48C, V253C)”. X-ray diffraction, 2 pockets (best druggability 0.63). MolNFT v1 #121852 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5I7L
Type: protein
Length: 395 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bpi fold-containing family a member 1
UniProt: Q9NP55
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bpi fold-containing family a member 1	protein	192	34% helix, 31% strand	Q9NP55
B	Bpi fold-containing family a member 1	protein	203	38% helix, 33% strand	Q9NP55

Pockets

2 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	84	0.63	0.90	23	empty
2	85	0.41	0.78	17	empty

Interfaces

1 interface between chains.

A–B · 1019 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5I7L · Crystal Structure of SPLUNC1 Disulfide Mutant M2 (A48C, V253C) · the same entry in another collection · chain A against A, TM-score 1.00
Q9NP55 · AlphaFold monomer V2.0 prediction for bpi fold-containing family a member 1 (Q9NP55) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 Q9NP55
Elsewhere: RCSB PDB 5I7L · PDBe 5I7L · UniProt Q9NP55

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