MolNFT v1 · #118210 · protein

Crystal structure of ragweed profilin amb a 8 in complex with poly- PRO14

5EV0: “Crystal structure of ragweed profilin amb a 8 in complex with poly- PRO14”. X-ray diffraction, 1 pocket (best druggability 0.49). MolNFT v1 #118210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5EV0
Type: protein
Length: 285 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Profilin; Pro-pro-pro-pro-pro-pro-pro-pro-pro
UniProt: Q2KN24
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Profilin	protein	134	30% helix, 29% strand	Q2KN24
B	Profilin	protein	133	31% helix, 29% strand	Q2KN24
C, D	Pro-pro-pro-pro-pro-pro-pro-pro-pro	protein	9	0% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.49	0.78	32	empty

Interfaces

4 interfaces between chains.

A–C · 479 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 460 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 131 Å² buried · 0 hydrogen bonds · protein-protein
A–B · 98 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 2 modified (disulfide, artifact).

Compared structures

5EV0 · Crystal structure of ragweed profilin Amb a 8 in complex with poly-Pro14 · 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 Q2KN24
Elsewhere: RCSB PDB 5EV0 · PDBe 5EV0 · UniProt Q2KN24

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