MolNFT v1 · #9893 · protein

Crystal structures, spectroscopic features, and catalytic properties of COBALT(II), COPPER(II), NICKEL(II), and MERCURY(II) derivatives of the zinc endopeptidase astacin. a correlation of structure and proteolytic activity

1IAE: “Crystal structures, spectroscopic features, and catalytic properties of COBALT(II), COPPER(II), NICKEL(II)…”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.44). MolNFT v1 #9893 on GenesisL1: 3D structure, binding…

PDB: 1IAE
Type: protein
Length: 200 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Astacin
EC: 3.4.24.21
UniProt: P07584
Ligands: NI
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Astacin (EC 3.4.24.21)	protein	200	33% helix, 19% strand	P07584

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A

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	156	0.44	0.75	27	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1IAE · Crystal structures, spectroscopic features, and catalytic properties of COBALT(II)… · the same entry in another collection · chain A against A, TM-score 1.00
P07584 · AlphaFold monomer V2.0 prediction for astacin (P07584) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P07584
Elsewhere: RCSB PDB 1IAE · PDBe 1IAE · UniProt P07584

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