MolNFT v1 · #47050 · protein

Crystal structure of inla Y369A/HEC1 complex

2OMZ · Internalin-a: “Crystal structure of inla Y369A/HEC1 complex”. X-ray diffraction, 6 pockets (best druggability 0.62). MolNFT v1 #47050 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OMZ
Type: protein
Length: 569 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Internalin-a; Epithelial-cadherin
UniProt: P25146, P12830
Pockets: 6 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Internalin-a	protein	465	16% helix, 23% strand	P25146
B	Epithelial-cadherin	protein	104	4% helix, 42% strand	P12830

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.62	0.81	40	empty
2	99	0.47	0.81	25	empty
3	103	0.47	0.80	19	empty
4	111	0.39	0.76	22	empty
5	57	0.38	0.81	26	empty

Interfaces

1 interface between chains.

A–B · 1519 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

2OMZ · Crystal structure of InlA Y369A/hEC1 complex · the same entry in another collection · chain A against A, TM-score 1.00
P12830 · AlphaFold monomer V2.0 prediction for cadherin-1 (P12830) · a predicted model of the same protein · chain B against A, TM-score 0.89

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 P25146
Every structure of UniProt P12830
Elsewhere: RCSB PDB 2OMZ · PDBe 2OMZ · UniProt P25146 · UniProt P12830

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