MolNFT v1 · #154690 · protein

Lovastatin esterase pcest in complex with simvastatin

6KJF: “Lovastatin esterase pcest in complex with simvastatin”. X-ray diffraction, 1 ligand (SIM). MolNFT v1 #154690 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KJF
Type: protein
Length: 800 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: B6H6L7
Ligands: SIM

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	—	protein	400	—	B6H6L7

Ligands and binding sites

SIM · Simvastatin acid · ligand · 2 copies · chains B, A
144 · Tris-hydroxymethyl-methyl-ammonium · additive · 5 copies · chains B, A

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

Compared structures

6KJF · lovastatin esterase PcEST in complex with simvastatin · the same entry in another collection · chain B against B, TM-score 1.00
B6H6L7 · AlphaFold monomer V2.0 prediction for lovastatin esterase (B6H6L7) · a predicted model of the same protein · chain B 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 B6H6L7
Elsewhere: RCSB PDB 6KJF · PDBe 6KJF · UniProt B6H6L7

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