MolNFT v1 · #53217 · protein

Structure of MTH689, a DUF54 protein from methanothermobacter thermautotrophicus

2WNY · Conserved protein MTH689: “Structure of MTH689, a DUF54 protein from methanothermobacter thermautotrophicus”. X-ray diffraction, 2 ligands (NI, CL), 2 pockets (best druggability 0.63). MolNFT v1 #53217 on GenesisL1: 3D structure…

PDB: 2WNY
Type: protein
Length: 273 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Conserved protein MTH689
UniProt: O26785
Ligands: NI, CL
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Conserved protein MTH689	protein	137	35% helix, 31% strand	O26785
B	Conserved protein MTH689	protein	136	35% helix, 32% strand	O26785

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A
CL · Chloride ion · ion · chains A, B

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

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	384	0.63	0.78	41	CL
2	123	0.53	0.82	23	empty

Interfaces

1 interface between chains.

A–B · 485 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

2WNY · Structure of Mth689, a DUF54 protein from Methanothermobacter thermautotrophicus · 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 O26785
Elsewhere: RCSB PDB 2WNY · PDBe 2WNY · UniProt O26785

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