MolNFT v1 · #16664 · protein

Solution structure of holo-neocarzinostatin

1O5P: “Solution structure of holo-neocarzinostatin”. Solution nmr, 1 ligand (CHR), 1 pocket (best druggability 0.56). MolNFT v1 #16664 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1O5P
Type: protein
Length: 113 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neocarzinostatin
UniProt: P0A3R9
Ligands: CHR
Pockets: 1 · best druggability 0.56

Structure

solution nmr · 1 distinct chain · 0% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neocarzinostatin	protein	113	0% helix, 52% strand	P0A3R9

Ligands and binding sites

CHR · Neocarzinostatin-chromophore · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	188	0.56	0.80	28	CHR

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1O5P · Solution Structure of holo-Neocarzinostatin · the same entry in another collection · chain A against A, TM-score 1.00
P0A3R9 · AlphaFold monomer V2.0 prediction for neocarzinostatin (P0A3R9) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 P0A3R9
Elsewhere: RCSB PDB 1O5P · PDBe 1O5P · UniProt P0A3R9

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