MolNFT v1 · #100112 · protein

Crystal structure of the major pollen allergen bet V 1-a in complex with P303

4MNS: “Crystal structure of the major pollen allergen bet V 1-a in complex with P303”. X-ray diffraction, 1 ligand (2AX), 2 pockets (best druggability 0.83). MolNFT v1 #100112 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MNS
Type: protein
Length: 159 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major pollen allergen bet V 1-a
UniProt: P15494
Ligands: 2AX
Pockets: 2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major pollen allergen bet V 1-a	protein	159	26% helix, 40% strand	P15494

Ligands and binding sites

2AX · (3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 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	498	0.83	0.89	56	2AX
2	52	0.30	0.76	15	empty

Compared structures

4MNS · Crystal structure of the major pollen allergen Bet v 1-A in complex with P303 · the same entry in another collection · chain A against A, TM-score 1.00
P15494 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-a (P15494) · a predicted model of the same protein · chain A 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 P15494
Elsewhere: RCSB PDB 4MNS · PDBe 4MNS · UniProt P15494

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