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Crystal structure of putative pectinase (YP_001304412.1) from parabacteroides distasonis atcc 8503 at 2.30 a resolution

Analyse Crystal structure of putative pectinase (YP_001304412.1) from parabacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LYC
Type
protein
Length
3,827 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative pectinase
UniProt
A6LGH6
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 8 distinct chains · 3% helix, 69% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, H, I, K, MPutative pectinaseprotein2413% helix, 76% strandA6LGH6
BPutative pectinaseprotein2374% helix, 69% strandA6LGH6
D, OPutative pectinaseprotein2403% helix, 69% strandA6LGH6
FPutative pectinaseprotein2394% helix, 68% strandA6LGH6
JPutative pectinaseprotein2384% helix, 69% strandA6LGH6
LPutative pectinaseprotein2353% helix, 69% strandA6LGH6
NPutative pectinaseprotein2384% helix, 68% strandA6LGH6
PPutative pectinaseprotein2323% helix, 69% strandA6LGH6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18320.800.83114empty
27190.780.8368empty
35880.750.8359empty
43110.720.8552empty
5660.690.9518empty

Interfaces

44 interfaces between chains.

  • E–F · 1070 Ų buried · 31 hydrogen bonds · protein-protein
  • A–B · 1026 Ų buried · 29 hydrogen bonds · protein-protein
  • M–N · 1018 Ų buried · 29 hydrogen bonds · protein-protein
  • G–H · 985 Ų buried · 29 hydrogen bonds · protein-protein
  • C–D · 969 Ų buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 80 modified (engineered).

Compared structures

  • 3LYC · Crystal structure of Putative pectinase (YP_001304412.1) from Parabacteroides distasonis… · the same entry in another collection · chain A against A, TM-score 1.00

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