MolNFT v1 · #57936 · protein

Crystal structure of a novel diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase from mycobacterium tuberculosis H37RV

3ANO · Ap-4-a phosphorylase: “Crystal structure of a novel diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase from mycobacterium…”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.78). MolNFT v1 #57936 on GenesisL1…

PDB: 3ANO
Type: protein
Length: 333 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ap-4-a phosphorylase
EC: 2.7.7.53
UniProt: O06201
Ligands: PO4
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ap-4-a phosphorylase (EC 2.7.7.53)	protein	158	35% helix, 18% strand	O06201
B	Ap-4-a phosphorylase (EC 2.7.7.53)	protein	175	41% helix, 16% strand	O06201

Ligands and binding sites

PO4 · Phosphate ion · ion · 3 copies · chains A, B
PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	78	0.78	0.99	16	empty
2	291	0.58	0.77	33	empty
3	137	0.51	0.79	29	empty
4	258	0.50	0.75	21	empty
5	134	0.41	0.74	23	PO4, PG4

Interfaces

1 interface between chains.

A–B · 1101 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

3ANO · Crystal Structure of a Novel Diadenosine 5',5'''-P1,P4-Tetraphosphate Phosphorylase from… · 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 O06201
Elsewhere: RCSB PDB 3ANO · PDBe 3ANO · UniProt O06201

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