MolNFT v1 · #95291 · protein

Crystal structure of engineered protein. northeast structural genomics consortium target OR117

4ILS: “Crystal structure of engineered protein. northeast structural genomics consortium target OR117”. X-ray diffraction, 14 pockets (best druggability 0.78). MolNFT v1 #95291 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ILS
Type: protein
Length: 1,035 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Engineered protein
Pockets: 14 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Engineered protein	protein	350	29% helix, 30% strand	—
B	Engineered protein	protein	344	31% helix, 29% strand	—
C	Engineered protein	protein	341	30% helix, 30% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	607	0.78	0.83	62	empty
2	475	0.76	0.84	51	empty
3	311	0.71	0.85	53	empty
4	54	0.55	0.89	20	empty
5	84	0.47	0.82	19	empty

Interfaces

2 interfaces between chains.

B–C · 2749 Å² buried · 41 hydrogen bonds · protein-protein
A–B · 235 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4ILS · Crystal structure of engineered protein. northeast structural genomics Consortium target… · 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 4ILS · PDBe 4ILS

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