MolNFT v1 · #142573 · protein

Crystal structure of nicotinamidase/ pyrazinamidase pnca from bacillus subtilis

6A8L · Isochorismatase: “Crystal structure of nicotinamidase/ pyrazinamidase pnca from bacillus subtilis”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.58). MolNFT v1 #142573 on GenesisL1: 3D structure, binding sites…

PDB: 6A8L
Type: protein
Length: 366 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isochorismatase
UniProt: A0A2D3DSA4
Ligands: ZN
Pockets: 4 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Isochorismatase	protein	183	36% helix, 23% strand	A0A2D3DSA4

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

4 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	115	0.58	0.85	24	empty
2	101	0.57	0.85	24	empty
3	67	0.33	0.76	16	empty
4	54	0.26	0.74	12	empty

Interfaces

1 interface between chains.

A–B · 954 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6A8L · Crystal structure of nicotinamidase/ pyrazinamidase PncA from Bacillus subtilis · 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 A0A2D3DSA4
Elsewhere: RCSB PDB 6A8L · PDBe 6A8L · UniProt A0A2D3DSA4

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