MolNFT v1 · #56883 · protein

Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes

2ZTI · NTPase: “Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3…”. X-ray diffraction, 1 ligand (MN), 2 pockets (best druggability 0.54). MolNFT v1 #56883 on GenesisL1: 3D structure…

PDB: 2ZTI
Type: protein
Length: 184 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NTPase
EC: 3.6.1.19
UniProt: O59580
Ligands: MN
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NTPase (EC 3.6.1.19)	protein	184	39% helix, 28% strand	O59580

Ligands and binding sites

MN · Manganese (II) ion · metal · chains A

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

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	91	0.54	0.85	18	empty
2	105	0.39	0.76	23	MN

Compared structures

2ZTI · Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus… · the same entry in another collection · chain A against A, TM-score 1.00
O59580 · AlphaFold monomer V2.0 prediction for DITP/XTP pyrophosphatase (O59580) · 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 O59580
Elsewhere: RCSB PDB 2ZTI · PDBe 2ZTI · UniProt O59580

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