MolNFT v1 · #103786 · protein

Human aldose reductase complexed with SCHL7802 at 1.06 a

4PR4: “Human aldose reductase complexed with SCHL7802 at 1.06 a”. X-ray diffraction, 2 ligands (NAP, 2W8), 1 pocket (best druggability 0.74). MolNFT v1 #103786 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PR4
Type: protein
Length: 315 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldose reductase
EC: 1.1.1.21
UniProt: P15121
Ligands: NAP, 2W8
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldose reductase (EC 1.1.1.21)	protein	315	39% helix, 15% strand	P15121

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
2W8 · 3-(3'-nitrobiphenyl-3-yl)propanoic acid · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	311	0.74	0.86	49	NAP, 2W8

Compared structures

4PR4 · Human Aldose Reductase complexed with Schl7802 at 1.06 A · the same entry in another collection · chain A against A, TM-score 1.00
P15121 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member B1 (P15121) · a predicted model of the same protein · 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 P15121
Elsewhere: RCSB PDB 4PR4 · PDBe 4PR4 · UniProt P15121

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