MolNFT v1 · #54224 · protein

Pilus-presented adhesin, SPY0125 (cpa), P212121 form (dls)

2XID · Ancillary protein 1: “Pilus-presented adhesin, SPY0125 (cpa), P212121 form (dls)”. X-ray diffraction, 9 pockets (best druggability 0.74). MolNFT v1 #54224 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XID
Type: protein
Length: 846 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ancillary protein 1
UniProt: Q8GRA2
Pockets: 9 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ancillary protein 1	protein	416	13% helix, 37% strand	Q8GRA2
B	Ancillary protein 1	protein	430	12% helix, 38% strand	Q8GRA2

Pockets

9 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	782	0.74	0.79	74	empty
2	271	0.54	0.76	28	empty
3	87	0.45	0.81	16	empty
4	114	0.42	0.77	20	empty
5	147	0.40	0.74	31	empty

Interfaces

1 interface between chains.

A–B · 783 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 isopeptide (isopeptide).

Compared structures

2XID · Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS) · the same entry in another collection · chain A against A, TM-score 1.00

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 Q8GRA2
Elsewhere: RCSB PDB 2XID · PDBe 2XID · UniProt Q8GRA2

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