MolNFT v1 · #107272 · protein

Crystal structure of con-ikot-ikot toxin

4U5H: “Crystal structure of con-ikot-ikot toxin”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #107272 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4U5H
Type: protein
Length: 687 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Con-ikot-ikot
UniProt: P0CB20
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 5 distinct chains · 61% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, E, F	Con-ikot-ikot	protein	85	62% helix, 0% strand	P0CB20
B	Con-ikot-ikot	protein	87	61% helix, 0% strand	P0CB20
C	Con-ikot-ikot	protein	84	63% helix, 0% strand	P0CB20
G	Con-ikot-ikot	protein	90	59% helix, 0% strand	P0CB20
H	Con-ikot-ikot	protein	86	62% helix, 0% strand	P0CB20

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	723	0.70	0.77	66	empty
2	327	0.53	0.74	46	empty
3	177	0.42	0.73	30	empty

Interfaces

11 interfaces between chains.

A–B · 620 Å² buried · 9 hydrogen bonds · protein-protein
G–H · 586 Å² buried · 10 hydrogen bonds · protein-protein
E–F · 586 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 575 Å² buried · 8 hydrogen bonds · protein-protein
D–H · 349 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 52 disulfide (disulfide).

Compared structures

4U5H · crystal structure of con-ikot-ikot toxin · the same entry in another collection · chain G against G, TM-score 1.00
P0CB20 · AlphaFold monomer V2.0 prediction for con-ikot-ikot (P0CB20) · a predicted model of the same protein · chain D against A, TM-score 0.98

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 P0CB20
Elsewhere: RCSB PDB 4U5H · PDBe 4U5H · UniProt P0CB20

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