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MolNFT v1 · #117094 · protein

Crystal of selenomethionine substituted amtr from corynebacterium glutamicum

5DY1 · Tetr family transcriptional regulator: “Crystal of selenomethionine substituted amtr from corynebacterium glutamicum”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.65). MolNFT v1 #117094 on GenesisL1: 3D…

PDB
5DY1
Type
protein
Length
403 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetr family transcriptional regulator
UniProt
A0A072Z681
Ligands
CA
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATetr family transcriptional regulatorprotein20271% helix, 1% strandA0A072Z681
BTetr family transcriptional regulatorprotein20169% helix, 1% strandA0A072Z681

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12860.650.8137empty
2810.540.8517empty
32490.490.7430empty
41050.470.7922empty
5900.420.7817empty

Interfaces

1 interface between chains.

  • A–B · 924 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 5DY1 · Crystal of Selenomethionine substituted AmtR from Corynebacterium glutamicum · the same entry in another collection · chain A against A, TM-score 1.00

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