MolNFT v1 · #30502 · protein

Crystal structure of 6-pyruvoyl tetrahydropterin synthase (ptps) from plasmodium vivax at 2.2 a resolution

2A0S: “Crystal structure of 6-pyruvoyl tetrahydropterin synthase (ptps) from plasmodium vivax at 2.2 a resolution”. X-ray diffraction, 2 ligands (BIO, ZN), 2 pockets (best druggability 0.50). MolNFT v1 #30502 on GenesisL1: 3D structure…

PDB: 2A0S
Type: protein
Length: 326 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 6-pyruvoyl tetrahydropterin synthase
EC: 4.2.3.12
UniProt: A5K2B2
Ligands: BIO, ZN
Pockets: 2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	6-pyruvoyl tetrahydropterin synthase (EC 4.2.3.12)	protein	163	25% helix, 46% strand	A5K2B2

Ligands and binding sites

BIO · Biopterin · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · 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	252	0.50	0.75	53	empty
2	73	0.31	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 1077 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

2A0S · Crystal structure of 6-pyruvoyl tetrahydropterin synthase (PTPS) from Plasmodium vivax at… · 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 A5K2B2
Elsewhere: RCSB PDB 2A0S · PDBe 2A0S · UniProt A5K2B2

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