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MolNFT v1 · #27203 · protein

Crystal structure of longer splice variant of PTD012 from homo sapiens reveals a novel zinc-containing fold

1XCR · Hypothetical protein PTD012: “Crystal structure of longer splice variant of PTD012 from homo sapiens reveals a novel zinc-containing fold”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.71). MolNFT v1 #27203 on…

PDB
1XCR
Type
protein
Length
626 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein PTD012
UniProt
Q9H0W9
Ligands
ZN
Pockets
5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypothetical protein PTD012protein31317% helix, 41% strandQ9H0W9

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • ACY · Acetic acid · additive · 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
1680.710.9624ACY
2510.700.9819ACY
31000.460.8020empty
4780.380.7815empty
5620.300.7516empty

Interfaces

1 interface between chains.

  • A–B · 634 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 1XCR · Crystal Structure of Longer Splice Variant of PTD012 from Homo sapiens reveals a novel… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H0W9 · AlphaFold monomer V2.0 prediction for ester hydrolase C11ORF54 (Q9H0W9) · a predicted model of the same protein · chain A against A, TM-score 1.00

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