MolNFT v1 · #6297 · protein

Crystal structure of saccharomyces cerevisiae NIT3, a member of branch 10 of the nitrilase superfamily

1F89 · 32.5 kda protein YLR351C: “Crystal structure of saccharomyces cerevisiae NIT3, a member of branch 10 of the nitrilase superfamily”. X-ray diffraction, 5 pockets (best druggability 0.61). MolNFT v1 #6297 on GenesisL1: 3D structure…

PDB: 1F89
Type: protein
Length: 542 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 32.5 kda protein YLR351C
UniProt: P49954
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	32.5 kda protein YLR351C	protein	271	30% helix, 27% strand	P49954

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	273	0.61	0.79	34	empty
2	206	0.55	0.78	22	empty
3	63	0.49	0.85	18	empty
4	72	0.49	0.84	19	empty
5	76	0.34	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 1466 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

1F89 · Crystal structure of Saccharomyces cerevisiae Nit3, a member of branch 10 of the… · the same entry in another collection · chain A against A, TM-score 1.00
P49954 · AlphaFold monomer V2.0 prediction for omega-amidase NIT3 (P49954) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P49954
Elsewhere: RCSB PDB 1F89 · PDBe 1F89 · UniProt P49954

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