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MolNFT v1 · #13284 · protein

Crystal structure of thermoplasma acidophilum 0175 (APC0014)

1L6R · Hypothetical protein TA0175: “Crystal structure of thermoplasma acidophilum 0175 (APC0014)”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.71). MolNFT v1 #13284 on GenesisL1: 3D structure, binding sites and…

PDB
1L6R
Type
protein
Length
450 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein TA0175
UniProt
Q9HLQ2
Ligands
CA
Pockets
5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypothetical protein TA0175protein22542% helix, 21% strandQ9HLQ2

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A, B
  • FMT · Formic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16000.710.7962empty
2770.460.8228CA
31400.430.7630CA
4850.320.7318empty
5710.290.7318empty

Interfaces

1 interface between chains.

  • A–B · 790 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1L6R · Crystal Structure of Thermoplasma acidophilum 0175 (APC0014) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HLQ2 · AlphaFold monomer V2.0 prediction for phosphoglycolate phosphatase (Q9HLQ2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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