MolNFT v1 · #156126 · protein

Crystal structure of the substrate binding protein from microbacterium hydrocarbonoxydans complexed with propylparaben

6LU4: “Crystal structure of the substrate binding protein from microbacterium hydrocarbonoxydans complexed with…”. X-ray diffraction, 1 ligand (36M), 4 pockets (best druggability 0.83). MolNFT v1 #156126 on GenesisL1: 3D structure, binding…

PDB: 6LU4
Type: protein
Length: 481 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Substrate binding protein
Ligands: 36M
Pockets: 4 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Substrate binding protein	protein	481	34% helix, 25% strand	—

Ligands and binding sites

36M · propyl 4-hydroxybenzoate · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.83	0.94	64	36M
2	67	0.72	0.96	18	empty
3	299	0.61	0.79	49	empty
4	107	0.49	0.81	19	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6LU4 · Crystal structure of the substrate binding protein from Microbacterium hydrocarbonoxydans… · 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
Elsewhere: RCSB PDB 6LU4 · PDBe 6LU4

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