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MolNFT v1 · #95911 · protein

Structure of P51G cyanovirin-N swapped tetramer in the C2 space group

4J4G: “Structure of P51G cyanovirin-N swapped tetramer in the C2 space group”. X-ray diffraction, 2 pockets (best druggability 0.40). MolNFT v1 #95911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4J4G
Type
protein
Length
404 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyanovirin-N
UniProt
P81180
Pockets
2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, B, DCyanovirin-Nprotein10113% helix, 57% strandP81180

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.400.7329empty
21190.360.7321empty

Interfaces

6 interfaces between chains.

  • B–D · 2227 Ų buried · 48 hydrogen bonds · protein-protein
  • A–C · 2203 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 1663 Ų buried · 28 hydrogen bonds · protein-protein
  • C–D · 1601 Ų buried · 26 hydrogen bonds · protein-protein
  • C–B · 1331 Ų buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 4J4G · Structure of P51G Cyanovirin-N swapped tetramer in the C2 space group · the same entry in another collection · chain D against D, TM-score 1.00
  • P81180 · AlphaFold monomer V2.0 prediction for cyanovirin-N (P81180) · a predicted model of the same protein · chain D against A, TM-score 0.49

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