MolNFT v1 · #88262 · protein

Wild-type streptavidin in complex with love-hate ligand 1 (LH1)

4CPE: “Wild-type streptavidin in complex with love-hate ligand 1 (LH1)”. X-ray diffraction, 1 ligand (LUV), 2 pockets (best druggability 0.47). MolNFT v1 #88262 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4CPE
Type: protein
Length: 238 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Streptavidin
UniProt: P22629
Ligands: LUV
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Streptavidin	protein	120	5% helix, 56% strand	P22629
B	Streptavidin	protein	118	5% helix, 58% strand	P22629

Ligands and binding sites

LUV · (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.47	0.81	18	LUV
2	80	0.45	0.81	18	LUV

Interfaces

1 interface between chains.

A–B · 1597 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

4CPE · Wild-type streptavidin in complex with love-hate ligand 1 (LH1) · 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 P22629
Elsewhere: RCSB PDB 4CPE · PDBe 4CPE · UniProt P22629

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