MolNFT v1 · #67550 · protein

1.95A resolution structure of protective antigen domain 4

3INO · Protective antigen pa-63: “1.95A resolution structure of protective antigen domain 4”. X-ray diffraction, 2 pockets (best druggability 0.45). MolNFT v1 #67550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3INO
Type: protein
Length: 277 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protective antigen pa-63
UniProt: P13423
Pockets: 2 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protective antigen pa-63	protein	143	12% helix, 35% strand	P13423
B	Protective antigen pa-63	protein	134	13% helix, 39% strand	P13423

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	206	0.45	0.74	29	empty
2	121	0.39	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 463 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3INO · 1.95A Resolution Structure of Protective Antigen Domain 4 · the same entry in another collection · chain A against A, TM-score 1.00
P13423 · AlphaFold monomer V2.0 prediction for protective antigen (P13423) · a predicted model of the same protein · chain B 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 P13423
Elsewhere: RCSB PDB 3INO · PDBe 3INO · UniProt P13423

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