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Probabilistic structural models of mature P22 bacteriophage portal, hub, and tailspike proteins

Analyse Probabilistic structural models of mature P22 bacteriophage portal, hub, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5GAI
Type
protein
Length
12,390 residues
Chains
27
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Portal protein; Peptidoglycan hydrolase GP4; Tail fiber protein
EC
3.2.1.-
UniProt
P26744, P26746, P12528
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 3 distinct chains · 26% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, W, XPortal proteinprotein72144% helix, 12% strandP26744
K, L, M, N, O, P, Q, R, S, T, U, VPeptidoglycan hydrolase GP4protein14640% helix, 3% strandP26746
Y, Z, 0Tail fiber protein (EC 3.2.1.-)protein6623% helix, 36% strandP12528

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15090.880.9575empty
211580.860.86134empty
311200.840.8590empty
48930.830.8591empty
57960.830.8560empty

Interfaces

91 interfaces between chains.

  • A–B · 10205 Ų buried · 165 hydrogen bonds · protein-protein
  • F–G · 10027 Ų buried · 129 hydrogen bonds · protein-protein
  • B–C · 9988 Ų buried · 149 hydrogen bonds · protein-protein
  • C–D · 9976 Ų buried · 139 hydrogen bonds · protein-protein
  • E–F · 9866 Ų buried · 139 hydrogen bonds · protein-protein

Compared structures

  • 5GAI · Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike… · the same entry in another collection · chain B against B, TM-score 1.00

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