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MolNFT v1 · #29886 · protein

Crystal structure of human ALPHA_DEFENSIN-2 (variant GLY16->D-ala), P 32 2 1 space group )

1ZMI · Neutrophil defensin 2: “Crystal structure of human ALPHA_DEFENSIN-2 (variant GLY16->D-ala), P 32 2 1 space group )”. X-ray diffraction, 1 ligand (SO4). MolNFT v1 #29886 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ZMI
Type
protein
Length
116 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neutrophil defensin 2
UniProt
P59666
Ligands
SO4

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DNeutrophil defensin 2protein290% helix, 55% strandP59666

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains B
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Interfaces

2 interfaces between chains.

  • A–B · 431 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 405 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 4 d-amino (disulfide, D-amino acid).

Compared structures

  • 1ZMI · Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group ) · the same entry in another collection · chain D against D, TM-score 1.00
  • P59666 · AlphaFold monomer V2.0 prediction for neutrophil defensin 3 (P59666) · a predicted model of the same protein · chain C against A, TM-score 0.88

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