MolNFT v2 · #10214 · protein

Human beta-defensin-1

1IJV · Beta-defensin 1: “Human beta-defensin-1”. X-ray diffraction at 1.2, 3 ligands (K, BR, SO4), 1 pocket (best druggability 0.40). MolNFT v2 #10214 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1IJV
Type: protein
Length: 72 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.2
Molecule: Beta-defensin 1
UniProt: P60022
Ligands: K, BR, SO4
Pockets: 1 · best druggability 0.40

Structure

x-ray diffraction · resolution 1.2 · 1 distinct chain · 17% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-defensin 1	protein	36	17% helix, 33% strand	P60022

Ligands and binding sites

K · Potassium ion · metal · chains B
BR · Bromide ion · ion · 6 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

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	92	0.40	0.77	23	BR

Interfaces

1 interface between chains.

A–B · 230 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1IJV · Human beta-defensin-1 · the same entry in another collection · chain A against A, TM-score 1.00
P60022 · AlphaFold monomer V2.0 prediction for beta-defensin 1 (P60022) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 P60022
Elsewhere: RCSB PDB 1IJV · PDBe 1IJV · UniProt P60022

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