MolNFT v1 · #57240 · protein

Crystal structure of rhodococcus sp. N-771 amidase complexed with benzamide

3A1I: “Crystal structure of rhodococcus sp. N-771 amidase complexed with benzamide”. X-ray diffraction, 1 ligand (UNU), 3 pockets (best druggability 0.36). MolNFT v1 #57240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3A1I
Type: protein
Length: 508 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amidase
EC: 3.5.1.4
UniProt: Q7DKE4
Ligands: UNU
Pockets: 3 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Amidase (EC 3.5.1.4)	protein	508	40% helix, 16% strand	Q7DKE4

Ligands and binding sites

UNU · Benzamide · ligand · chains A

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

Pockets

3 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	93	0.36	0.75	21	empty
2	71	0.33	0.75	16	empty
3	50	0.30	0.76	13	empty

Compared structures

3A1I · Crystal structure of Rhodococcus sp. N-771 Amidase complexed with Benzamide · 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 Q7DKE4
Elsewhere: RCSB PDB 3A1I · PDBe 3A1I · UniProt Q7DKE4

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