MolNFT v1 · #122399 · protein

Racemic structure of baboon theta defensin-2

5INZ · Theta defensin-2, L-peptide: “Racemic structure of baboon theta defensin-2”. X-ray diffraction, 1 ligand (SO4). MolNFT v1 #122399 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5INZ
Type: protein
Length: 72 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Theta defensin-2, L-peptide
Ligands: SO4

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 78% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Theta defensin-2, L-peptide	protein	18	0% helix, 78% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 6 copies · chains A, C, B, D
EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C

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

Interfaces

5 interfaces between chains.

A–C · 406 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 344 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 286 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 245 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 198 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 d-amino, 12 disulfide (D-amino acid, disulfide).

Compared structures

5INZ · Racemic structure of baboon theta defensin-2 · 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 5INZ · PDBe 5INZ

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