MolNFT v1 · #77991 · protein

Crystal structure of organophosphorus acid anhydrolase from alteromonas macleodii

3RVA: “Crystal structure of organophosphorus acid anhydrolase from alteromonas macleodii”. X-ray diffraction, 3 ligands (MN, NI, PO4), 4 pockets (best druggability 0.57). MolNFT v1 #77991 on GenesisL1: 3D structure, binding sites and…

PDB: 3RVA
Type: protein
Length: 445 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Organophosphorus acid anhydrolase
EC: 3.1.8.2, 3.4.13.9
Ligands: MN, NI, PO4
Pockets: 4 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Organophosphorus acid anhydrolase (EC 3.1.8.2, 3.4.13.9)	protein	445	40% helix, 17% strand	—

Ligands and binding sites

MN · Manganese (II) ion · metal · 2 copies · chains A
NI · Nickel (II) ion · metal · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

4 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	196	0.57	0.80	22	empty
2	132	0.43	0.76	18	empty
3	102	0.33	0.72	24	empty
4	51	0.29	0.76	23	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

3RVA · Crystal structure of organophosphorus acid anhydrolase from Alteromonas macleodii · 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
Elsewhere: RCSB PDB 3RVA · PDBe 3RVA

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