MolNFT v1 · #18757 · protein

Structure of NADPH-dependent family 11 aldo-keto reductase AKR11B(HOLO)

1PZ1 · General stress protein 69: “Structure of NADPH-dependent family 11 aldo-keto reductase AKR11B(HOLO)”. X-ray diffraction, 1 ligand (NAP), 5 pockets (best druggability 0.79). MolNFT v1 #18757 on GenesisL1: 3D structure, binding sites…

PDB: 1PZ1
Type: protein
Length: 666 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: General stress protein 69
UniProt: P80874
Ligands: NAP
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	General stress protein 69	protein	333	42% helix, 15% strand	P80874

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

5 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	581	0.79	0.85	62	NAP
2	558	0.79	0.85	54	NAP
3	197	0.56	0.79	30	empty
4	107	0.46	0.79	23	empty
5	67	0.38	0.78	11	empty

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

1PZ1 · Structure of NADPH-dependent family 11 aldo-keto reductase AKR11B(holo) · the same entry in another collection · chain A against A, TM-score 1.00
P80874 · AlphaFold monomer V2.0 prediction for aldo-keto reductase yhdn (P80874) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P80874
Elsewhere: RCSB PDB 1PZ1 · PDBe 1PZ1 · UniProt P80874

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