MolNFT v1 · #23354 · protein

Crystal structure of the mycobacterium tuberculosis SERINE/THREONINE phosphatase PSTP/PPP at 1.95 a.

1TXO · Putative bacterial enzyme: “Crystal structure of the mycobacterium tuberculosis SERINE/THREONINE phosphatase PSTP/PPP at 1.95 a.”. X-ray diffraction, 1 ligand (MN), 4 pockets (best druggability 0.50). MolNFT v1 #23354 on GenesisL1…

PDB: 1TXO
Type: protein
Length: 471 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative bacterial enzyme
EC: 3.1.3.16
UniProt: Q8VKT2
Ligands: MN
Pockets: 4 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative bacterial enzyme (EC 3.1.3.16)	protein	235	34% helix, 30% strand	Q8VKT2
B	Putative bacterial enzyme (EC 3.1.3.16)	protein	236	33% helix, 30% strand	Q8VKT2

Ligands and binding sites

MN · Manganese (II) ion · metal · 6 copies · chains A, B

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	159	0.50	0.79	21	empty
2	136	0.45	0.77	18	empty
3	86	0.36	0.76	20	MN
4	69	0.31	0.75	18	MN

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

1TXO · Crystal structure of the Mycobacterium tuberculosis serine/threonine phosphatase PstP/Ppp… · 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 Q8VKT2
Elsewhere: RCSB PDB 1TXO · PDBe 1TXO · UniProt Q8VKT2

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