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MolNFT v1 · #27578 · protein

Acyl-CoA carboxylase beta subunit from S. coelicolor (pccb), apo form #2, mutant D422I

1XNW · Propionyl-CoA carboxylase complex B subunit: “Acyl-CoA carboxylase beta subunit from S. coelicolor (pccb), apo form #2, mutant D422I”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #27578 on GenesisL1: 3D…

PDB
1XNW
Type
protein
Length
3,126 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Propionyl-CoA carboxylase complex B subunit
EC
6.4.1.3
UniProt
Q9X4K7
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FPropionyl-CoA carboxylase complex B subunit (EC 6.4.1.3)protein52142% helix, 18% strandQ9X4K7

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111350.800.8294empty
211860.800.82105empty
311250.800.8174empty
411130.760.79127empty
5630.730.9826empty

Interfaces

15 interfaces between chains.

  • B–E · 4824 Ų buried · 60 hydrogen bonds · protein-protein
  • C–F · 4793 Ų buried · 65 hydrogen bonds · protein-protein
  • A–D · 4782 Ų buried · 62 hydrogen bonds · protein-protein
  • A–C · 1458 Ų buried · 18 hydrogen bonds · protein-protein
  • D–F · 1456 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 1XNW · Acyl-CoA Carboxylase Beta Subunit from S. coelicolor (PccB), apo form #2, mutant D422I · the same entry in another collection · chain A against A, TM-score 1.00

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