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MolNFT v1 · #92853 · protein

X-ray crystal structure of a periplasmic oligopeptide-binding PROTEIN/OLIGOPEPTIDE ABC TRANSPORTER(OPPAIV) from borrelia burgdorferi

4GL8 · Oligopeptide ABC transporter oppaiv: “X-ray crystal structure of a periplasmic oligopeptide-binding PROTEIN/OLIGOPEPTIDE ABC TRANSPORTER(OPPAIV)…”. X-ray diffraction, 9 pockets (best druggability 0.86). MolNFT v1 #92853 on…

PDB
4GL8
Type
protein
Length
1,008 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Oligopeptide ABC transporter oppaiv; Peptide of unknown sequence
UniProt
H7C7K8
Pockets
9 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOligopeptide ABC transporter oppaivprotein50036% helix, 23% strandH7C7K8
C, DPeptide of unknown sequenceprotein40% helix, 25% strand—

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14580.860.9475empty
22240.820.9541empty
31790.790.9535empty
41680.610.8331empty
51470.580.8331empty

Interfaces

3 interfaces between chains.

  • A–C · 408 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 387 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 192 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 4GL8 · X-ray crystal structure of a periplasmic oligopeptide-binding protein/Oligopeptide ABC… · the same entry in another collection · chain A against A, TM-score 1.00

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