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MolNFT v1 · #119799 · protein

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

5GAI · Portal protein: “Probabilistic structural models of mature P22 bacteriophage portal, hub, and tailspike proteins”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #119799 on GenesisL1: 3D structure, binding sites…

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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