MolNFT v1 · #69088 · protein

Major mouse urinary protein IV complexed with 2-ethylhexanol

3KFH · Major urinary protein 4: “Major mouse urinary protein IV complexed with 2-ethylhexanol”. X-ray diffraction, 2 ligands (2EH, CL), 1 pocket (best druggability 0.79). MolNFT v1 #69088 on GenesisL1: 3D structure, binding sites and…

PDB: 3KFH
Type: protein
Length: 152 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major urinary protein 4
UniProt: P11590
Ligands: 2EH, CL
Pockets: 1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major urinary protein 4	protein	152	20% helix, 48% strand	P11590

Ligands and binding sites

2EH · (2S)-2-ethylhexan-1-ol · ligand · chains A
CL · Chloride ion · ion · chains A

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	99	0.79	0.98	20	2EH

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3KFH · Major mouse urinary protein IV complexed with 2-ethylhexanol · the same entry in another collection · chain A against A, TM-score 1.00
P11590 · AlphaFold monomer V2.0 prediction for major urinary protein 4 (P11590) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P11590
Elsewhere: RCSB PDB 3KFH · PDBe 3KFH · UniProt P11590

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