MolNFT v1 · #83854 · protein

Semet-labelled hcgf from methanocaldococcus jannaschii

3WVA · UPF0254 protein MJ1251: “Semet-labelled hcgf from methanocaldococcus jannaschii”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #83854 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3WVA
Type: protein
Length: 334 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: UPF0254 protein MJ1251
EC: 3.1.2.-
UniProt: Q58649
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	UPF0254 protein MJ1251 (EC 3.1.2.-)	protein	167	43% helix, 20% strand	Q58649

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.56	0.77	37	empty
2	57	0.31	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 1581 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

3WVA · SeMet-labelled HcgF from Methanocaldococcus jannaschii · the same entry in another collection · chain A against A, TM-score 1.00
Q58649 · AlphaFold monomer V2.0 prediction for UPF0254 protein MJ1251 (Q58649) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q58649
Elsewhere: RCSB PDB 3WVA · PDBe 3WVA · UniProt Q58649

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