MolNFT v1 · #87305 · protein

Structure of adenosine 5-prime-phosphosulfate reductase apr-B from physcomitrella patens

4BWV · Phosphoadenosine-phosphosulphate reductase: “Structure of adenosine 5-prime-phosphosulfate reductase apr-B from physcomitrella patens”. X-ray diffraction, 3 pockets (best druggability 0.76). MolNFT v1 #87305 on GenesisL1: 3D…

PDB: 4BWV
Type: protein
Length: 454 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphoadenosine-phosphosulphate reductase
EC: 1.8.4.10
UniProt: Q8L5D0
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phosphoadenosine-phosphosulphate reductase (EC 1.8.4.10)	protein	227	50% helix, 10% strand	Q8L5D0

Ligands and binding sites

PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	111	0.76	0.97	30	empty
2	552	0.71	0.80	39	empty
3	585	0.71	0.79	43	empty

Interfaces

1 interface between chains.

A–B · 1461 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4BWV · Structure of Adenosine 5-prime-phosphosulfate Reductase apr-b from Physcomitrella Patens · 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 Q8L5D0
Elsewhere: RCSB PDB 4BWV · PDBe 4BWV · UniProt Q8L5D0

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