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MolNFT v1 · #153264 · protein

Crystal structure of svbp-VASH1 complex, mutation C169A of VASH1

6J8N · Small vasohibin-binding protein: “Crystal structure of svbp-VASH1 complex, mutation C169A of VASH1”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #153264 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6J8N
Type
protein
Length
518 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small vasohibin-binding protein; Tubulinyl-tyr carboxypeptidase 1
EC
3.4.17.17
UniProt
Q8N300, Q7L8A9
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSmall vasohibin-binding proteinprotein2492% helix, 0% strandQ8N300
B, DTubulinyl-tyr carboxypeptidase 1 (EC 3.4.17.17)protein23542% helix, 21% strandQ7L8A9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12590.720.8755empty
21740.460.7525empty
31630.460.7524empty
41370.440.7627empty
51280.440.7728empty

Interfaces

3 interfaces between chains.

  • C–D · 1102 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1086 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 709 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6J8N · Crystal structure of SVBP-VASH1 complex, mutation C169A of VASH1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7L8A9 · AlphaFold monomer V2.0 prediction for tubulinyl-tyr carboxypeptidase 1 (Q7L8A9) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q8N300 · AlphaFold monomer V2.0 prediction for small vasohibin-binding protein (Q8N300) · a predicted model of the same protein · chain A against A, TM-score 0.82

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