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MolNFT v1 · #146286 · protein

Crystal structure of selaginella moellendorffii hct

6DD2 · Probable hydroxycinnamoyl transferase: “Crystal structure of selaginella moellendorffii hct”. X-ray diffraction, 9 pockets (best druggability 0.82). MolNFT v1 #146286 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6DD2
Type
protein
Length
827 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable hydroxycinnamoyl transferase
EC
2.3.1.-, 2.3.1.133
UniProt
D8T7G0
Pockets
9 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable hydroxycinnamoyl transferase (EC 2.3.1.-, 2.3.1.133)protein41327% helix, 21% strandD8T7G0
BProbable hydroxycinnamoyl transferase (EC 2.3.1.-, 2.3.1.133)protein41424% helix, 23% strandD8T7G0

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18520.820.8481empty
27980.810.8486empty
32960.640.8142empty
4610.600.9121empty
51410.560.8232empty

Interfaces

1 interface between chains.

  • A–B · 680 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6DD2 · Crystal structure of Selaginella moellendorffii HCT · the same entry in another collection · chain A against A, TM-score 1.00

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