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MolNFT v1 · #174624 · protein

Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form)

7C1B · Sugar ABC transporter, periplasmic sugar-binding protein: “Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC…”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT…

PDB
7C1B
Type
protein
Length
367 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sugar ABC transporter, periplasmic sugar-binding protein
UniProt
Q5SLB4
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASugar ABC transporter, periplasmic sugar-binding proteinprotein36751% helix, 19% strandQ5SLB4

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.670.8036EDO
2680.390.8019empty
3830.380.7716empty
4820.330.7414empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7C1B · Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of… · the same entry in another collection · chain A against A, TM-score 1.00

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