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MolNFT v1 · #145955 · protein

Apo crystal structure of terc, a terfestatin biosynthesis enzyme

6D34: “Apo crystal structure of terc, a terfestatin biosynthesis enzyme”. X-ray diffraction, 4 pockets (best druggability 0.74). MolNFT v1 #145955 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6D34
Type
protein
Length
263 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Terc
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATercprotein13236% helix, 45% strand—
BTercprotein13137% helix, 44% strand—

Ligands and binding sites

  • IPA · Isopropyl alcohol · additive · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12590.740.8735IPA
22160.730.8830empty
31260.500.8029empty
41200.480.7927IPA

Interfaces

1 interface between chains.

  • A–B · 853 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 6D34 · Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme · the same entry in another collection · chain A against A, TM-score 1.00

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