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X-ray crystal structure of plyc

Analyse X-ray crystal structure of plyc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4F88
Type
protein
Length
1,827 residues
Chains
18
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plyca; Plycb
UniProt
Q7Y3F1, Q7Y3F3
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 15 distinct chains · 32% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Plycaprotein43039% helix, 9% strandQ7Y3F1
2Plycaprotein41841% helix, 7% strandQ7Y3F1
APlycbprotein6822% helix, 29% strandQ7Y3F3
BPlycbprotein6922% helix, 29% strandQ7Y3F3
C, GPlycbprotein6922% helix, 29% strandQ7Y3F3
DPlycbprotein6329% helix, 29% strandQ7Y3F3
E, F, MPlycbprotein6523% helix, 25% strandQ7Y3F3
HPlycbprotein6722% helix, 30% strandQ7Y3F3
IPlycbprotein5223% helix, 10% strandQ7Y3F3
JPlycbprotein3529% helix, 6% strandQ7Y3F3
KPlycbprotein5321% helix, 4% strandQ7Y3F3
LPlycbprotein5525% helix, 0% strandQ7Y3F3
NPlycbprotein5925% helix, 27% strandQ7Y3F3
OPlycbprotein6523% helix, 25% strandQ7Y3F3
PPlycbprotein6025% helix, 27% strandQ7Y3F3

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18870.810.8394empty
22150.770.9132empty
32530.750.8843empty
43640.730.8453empty
57140.720.7956empty

Interfaces

39 interfaces between chains.

  • B–C · 1145 Ų buried · 20 hydrogen bonds · protein-protein
  • A–H · 1033 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1008 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 991 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 810 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 4F88 · X-ray Crystal Structure of PlyC · the same entry in another collection · chain 1 against 1, TM-score 1.00

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