MolNFT v1 · #18398 · protein

Crystal structure of R. rubrum transhydrogenase domain III bound to NADP

1PNO · NAD(P) transhydrogenase subunit beta: “Crystal structure of R. rubrum transhydrogenase domain III bound to NADP”. X-ray diffraction, 1 ligand (NAP), 2 pockets (best druggability 0.74). MolNFT v1 #18398 on GenesisL1: 3D structure…

PDB: 1PNO
Type: protein
Length: 357 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NAD(P) transhydrogenase subunit beta
EC: 1.6.1.2
UniProt: Q59765
Ligands: NAP
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NAD(P) transhydrogenase subunit beta (EC 1.6.1.2)	protein	180	41% helix, 21% strand	Q59765
B	NAD(P) transhydrogenase subunit beta (EC 1.6.1.2)	protein	177	42% helix, 20% strand	Q59765

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	426	0.74	0.84	54	NAP
2	201	0.58	0.80	29	NAP

Interfaces

1 interface between chains.

A–B · 444 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1PNO · Crystal structure of R. rubrum transhydrogenase domain III bound to NADP · 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 Q59765
Elsewhere: RCSB PDB 1PNO · PDBe 1PNO · UniProt Q59765

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