MolNFT v1 · #27466 · protein

NMR structure of antimicrobial peptide distinctin in water

1XKM · Distinctin chain a: “NMR structure of antimicrobial peptide distinctin in water”. Solution nmr, 1 pocket (best druggability 0.33). MolNFT v1 #27466 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XKM
Type: protein
Length: 94 residues
Chains: 4
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Distinctin chain a; Distinctin chain B
Pockets: 1 · best druggability 0.33

Structure

solution nmr · 2 distinct chains · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Distinctin chain a	protein	22	64% helix, 0% strand	—
B, D	Distinctin chain B	protein	25	84% helix, 0% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	51	0.33	0.77	12	empty

Interfaces

5 interfaces between chains.

A–D · 413 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 408 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 395 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 378 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 360 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1XKM · NMR structure of antimicrobial peptide distinctin in water · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1XKM · PDBe 1XKM

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