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MolNFT v1 · #100078 · protein

Crystal structure of prefusion-stabilized rsv F variant CAV1 at pH 5.5

4MMS · Fusion glycoprotein F2: “Crystal structure of prefusion-stabilized rsv F variant CAV1 at pH 5.5”. X-ray diffraction, 1 ligand (SO4), 17 pockets (best druggability 0.86). MolNFT v1 #100078 on GenesisL1: 3D structure, binding sites…

PDB
4MMS
Type
protein
Length
1,348 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion glycoprotein F2; Fusion glycoprotein F1 fused with fibritin trimerization domain
UniProt
P03420, P10104
Ligands
SO4
Pockets
17 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EFusion glycoprotein F2protein8131% helix, 33% strandP03420
B, DFusion glycoprotein F1 fused with fibritin trimerization domainprotein37031% helix, 32% strandP03420, P10104
CFusion glycoprotein F2protein7732% helix, 36% strandP03420
FFusion glycoprotein F1 fused with fibritin trimerization domainprotein36930% helix, 33% strandP03420, P10104

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 14 copies · chains B, E, F, A, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19910.860.8780empty
24230.790.8851empty
38100.770.8071SO4
41450.740.9327empty
54360.700.8150empty

Interfaces

9 interfaces between chains.

  • A–B · 4411 Ų buried · 79 hydrogen bonds · protein-protein
  • E–F · 4393 Ų buried · 86 hydrogen bonds · protein-protein
  • C–D · 4314 Ų buried · 82 hydrogen bonds · protein-protein
  • B–D · 1796 Ų buried · 17 hydrogen bonds · protein-protein
  • D–F · 1723 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 disulfide (disulfide).

Compared structures

  • 4MMS · Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 5.5 · the same entry in another collection · chain B against B, TM-score 1.00

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