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MolNFT v1 · #175626 · protein

Root induced secreted protein TSP1 from biocontrol fungi trichoderma virens

7CWP · Root induced signalling protein: “Root induced secreted protein TSP1 from biocontrol fungi trichoderma virens”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #175626 on GenesisL1: 3D structure, binding sites and…

PDB
7CWP
Type
protein
Length
511 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Root induced signalling protein
UniProt
G9MQD3
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 8% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARoot induced signalling proteinprotein1258% helix, 49% strandG9MQD3
BRoot induced signalling proteinprotein1288% helix, 48% strandG9MQD3
CRoot induced signalling proteinprotein12910% helix, 49% strandG9MQD3
DRoot induced signalling proteinprotein1295% helix, 49% strandG9MQD3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11630.600.8434empty
2510.350.7917empty
3540.300.7619empty
4750.290.7321empty

Interfaces

5 interfaces between chains.

  • C–D · 1734 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 276 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 244 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 139 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 26 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7CWP · Root induced Secreted protein Tsp1 from Biocontrol fungi Trichoderma virens · the same entry in another collection · chain A against A, TM-score 1.00

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