MolNFT v1 · #79329 · protein

Crystal structure of phosphonoacetate hydrolase from sinorhizobium meliloti 1021 in complex with vanadate

3T00: “Crystal structure of phosphonoacetate hydrolase from sinorhizobium meliloti 1021 in complex with vanadate”. X-ray diffraction, 3 ligands (ZN, NI, VO4), 2 pockets (best druggability 0.74). MolNFT v1 #79329 on GenesisL1: 3D structure…

PDB: 3T00
Type: protein
Length: 413 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphonoacetate hydrolase
EC: 3.6.1.9
UniProt: Q92UV8
Ligands: ZN, NI, VO4
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphonoacetate hydrolase (EC 3.6.1.9)	protein	413	35% helix, 20% strand	Q92UV8

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A
NI · Nickel (II) ion · metal · chains A
VO4 · Vanadate ion · ion · 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	421	0.74	0.84	40	ZN, VO4
2	147	0.47	0.78	23	empty

Compared structures

3T00 · Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in… · 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 Q92UV8
Elsewhere: RCSB PDB 3T00 · PDBe 3T00 · UniProt Q92UV8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.