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MolNFT v1 · #163452 · protein

Crystal structure of lipase from geobacillus stearothermophilus T6 variant A187C/F291C

6S3G: “Crystal structure of lipase from geobacillus stearothermophilus T6 variant A187C/F291C”. X-ray diffraction, 2 ligands (ZN, CA), 1 pocket (best druggability 0.55). MolNFT v1 #163452 on GenesisL1: 3D structure, binding sites and…

PDB
6S3G
Type
protein
Length
392 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipase
EC
3.1.1.3
UniProt
Q93A71
Ligands
ZN, CA
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipase (EC 3.1.1.3)protein39236% helix, 15% strandQ93A71

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • CA · Calcium ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11980.550.7923empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6S3G · Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant A187C/F291C · the same entry in another collection · chain A against A, TM-score 1.00

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