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MolNFT v1 · #169268 · protein

Peptide-bound structure of marinomonas primoryensis peptide-binding domain

6X6M · Antifreeze protein: “Peptide-bound structure of marinomonas primoryensis peptide-binding domain”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.45). MolNFT v1 #169268 on GenesisL1: 3D structure, binding sites and…

PDB
6X6M
Type
protein
Length
510 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antifreeze protein; Peptide
UniProt
A1YIY3
Ligands
CA
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntifreeze proteinprotein5065% helix, 53% strandA1YIY3
BPeptideprotein40% helix, 25% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 16 copies · chains A, B
  • 1PE · Pentaethylene glycol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12130.450.7339empty

Interfaces

1 interface between chains.

  • A–B · 297 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6X6M · Peptide-bound structure of Marinomonas primoryensis peptide-binding domain · the same entry in another collection · chain A against A, TM-score 1.00

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