MolNFT v1 · #1620 · protein

Structure-based identification of the biochemical function of a hypothetical protein from methanococcus JANNASCHII:MJ0226

1B78 · Pyrophosphatase: “Structure-based identification of the biochemical function of a hypothetical protein from methanococcus…”. X-ray diffraction, 2 pockets (best druggability 0.67). MolNFT v1 #1620 on GenesisL1: 3D structure, binding…

PDB: 1B78
Type: protein
Length: 368 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyrophosphatase
UniProt: Q57679
Pockets: 2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pyrophosphatase	protein	184	38% helix, 27% strand	Q57679

Pockets

2 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	540	0.67	0.77	49	empty
2	456	0.65	0.78	38	empty

Interfaces

1 interface between chains.

A–B · 964 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1B78 · Structure-based identification of the biochemical function of a hypothetical protein from… · the same entry in another collection · chain A against A, TM-score 1.00
Q57679 · AlphaFold monomer V2.0 prediction for DITP/XTP pyrophosphatase (Q57679) · 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 Q57679
Elsewhere: RCSB PDB 1B78 · PDBe 1B78 · UniProt Q57679

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