MolNFT v1 · #13977 · protein

Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination

1LU0 · Trypsin inhibitor I: “Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination”. X-ray diffraction, 2 ligands (ZN, SO4). MolNFT v1 #13977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1LU0
Type: protein
Length: 58 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trypsin inhibitor I
UniProt: P01074
Ligands: ZN, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Trypsin inhibitor I	protein	29	10% helix, 14% strand	P01074

Ligands and binding sites

ZN · Zinc ion · metal · chains A, B
SO4 · Sulfate ion · ion · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B
MRD · (4R)-2-methylpentane-2,4-diol · additive · chains B

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

Interfaces

1 interface between chains.

A–B · 134 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1LU0 · Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination · the same entry in another collection · chain A against A, TM-score 1.00
P01074 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (P01074) · a predicted model of the same protein · chain A against A, TM-score 0.86

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 P01074
Elsewhere: RCSB PDB 1LU0 · PDBe 1LU0 · UniProt P01074

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