MolNFT v1 · #47608 · protein

Thermotoga maritima impase TM1415

2P3N · Inositol-1-monophosphatase: “Thermotoga maritima impase TM1415”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.88). MolNFT v1 #47608 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2P3N
Type: protein
Length: 1,024 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inositol-1-monophosphatase
EC: 3.1.3.25
UniProt: O33832
Ligands: MG
Pockets: 8 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Inositol-1-monophosphatase (EC 3.1.3.25)	protein	256	38% helix, 27% strand	O33832

Ligands and binding sites

MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	991	0.88	0.89	107	empty
2	312	0.71	0.85	35	empty
3	339	0.70	0.83	43	empty
4	307	0.70	0.84	39	empty
5	288	0.69	0.84	38	empty

Interfaces

6 interfaces between chains.

C–D · 1861 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 1792 Å² buried · 22 hydrogen bonds · protein-protein
B–D · 465 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 442 Å² buried · 1 hydrogen bond · protein-protein
A–C · 433 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

2P3N · Thermotoga maritima IMPase TM1415 · the same entry in another collection · chain D against D, TM-score 1.00
O33832 · AlphaFold monomer V2.0 prediction for fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphata… · 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 O33832
Elsewhere: RCSB PDB 2P3N · PDBe 2P3N · UniProt O33832

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