MolNFT v1 · #38386 · protein

Crystal structure of hydrophobin hfbi with detergent

2GVM · Hydrophobin-1: “Crystal structure of hydrophobin hfbi with detergent”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.64). MolNFT v1 #38386 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2GVM
Type: protein
Length: 280 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydrophobin-1
UniProt: P52754
Ligands: ZN
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Hydrophobin-1	protein	70	13% helix, 41% strand	P52754

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
LDA · Lauryl dimethylamine-N-oxide · additive · 10 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	467	0.64	0.76	40	LDA

Interfaces

4 interfaces between chains.

A–B · 305 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 255 Å² buried · 1 hydrogen bond · protein-protein
C–D · 245 Å² buried · 1 hydrogen bond · protein-protein
B–D · 237 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

2GVM · Crystal structure of hydrophobin HFBI with detergent · the same entry in another collection · chain A against A, TM-score 1.00
P52754 · AlphaFold monomer V2.0 prediction for hydrophobin-1 (P52754) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P52754
Elsewhere: RCSB PDB 2GVM · PDBe 2GVM · UniProt P52754

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