MolNFT v1 · #130573 · protein

Crystal structure of 11BETA-HSD1 double mutant (L262R, F278E) complexed with 1-(3-hydroxyazetidin-1-yl)-2-[(2S,5R)-2-(4- fluorophenyl)-5-methoxyadamantan-2-YL]ETHAN-1-one

5PGV: “Crystal structure of 11BETA-HSD1 double mutant (L262R, F278E) complexed with…”. X-ray diffraction, 2 ligands (NAP, 8K7). MolNFT v1 #130573 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5PGV
Type: protein
Length: 1,079 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P28845
Ligands: NAP, 8K7

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	262	—	P28845
B	—	protein	280	—	P28845
D	—	protein	274	—	P28845
E	—	protein	263	—	P28845

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, D, E
8K7 · 1-(3-hydroxyazetidin-1-yl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one · ligand · 4 copies · chains A, B, D, E

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

Compared structures

5PGV · Crystal structure of 11BETA-HSD1 double mutant (L262R, F278E) complexed with… · the same entry in another collection · chain E against E, TM-score 1.00
P28845 · AlphaFold monomer V2.0 prediction for corticosteroid 11-beta- dehydrogenase isozyme 1… · a predicted model of the same protein · chain E 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 P28845
Elsewhere: RCSB PDB 5PGV · PDBe 5PGV · UniProt P28845

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