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MolNFT v1 · #62414 · protein

Crystal structure of putative gntr-family transcriptional regulator

3EET: “Crystal structure of putative gntr-family transcriptional regulator”. X-ray diffraction, 3 pockets (best druggability 0.56). MolNFT v1 #62414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3EET
Type
protein
Length
481 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative gntr-family transcriptional regulator
UniProt
Q82IF8
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative gntr-family transcriptional regulatorprotein24527% helix, 33% strandQ82IF8
BPutative gntr-family transcriptional regulatorprotein23627% helix, 33% strandQ82IF8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.560.8718empty
21360.540.8124empty
3930.400.7721empty

Interfaces

1 interface between chains.

  • A–B · 189 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

  • 3EET · Crystal structure of putative GntR-family transcriptional regulator · the same entry in another collection · chain B against B, TM-score 1.00

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