MolNFT v1 · #25722 · protein

Nima from D. radiodurans with metronidazole and pyruvate

1W3R · Nima-related protein: “Nima from D. radiodurans with metronidazole and pyruvate”. X-ray diffraction, 2 ligands (PYR, 2MN), 1 pocket (best druggability 0.26). MolNFT v1 #25722 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1W3R
Type: protein
Length: 204 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nima-related protein
UniProt: Q9RW27
Ligands: PYR, 2MN
Pockets: 1 · best druggability 0.26

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nima-related protein	protein	204	24% helix, 36% strand	Q9RW27

Ligands and binding sites

PYR · Pyruvic acid · ligand · chains A
2MN · Metronidazole · ligand · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.26	0.73	14	empty

Compared structures

1W3R · NimA from D. radiodurans with Metronidazole and Pyruvate · 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 Q9RW27
Elsewhere: RCSB PDB 1W3R · PDBe 1W3R · UniProt Q9RW27

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