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MolNFT v1 · #81714 · protein

Crystal structure of ciona intestinalis voltage sensor-containing phosphatase (ci-vsp), residues 241-576(C363S)

3V0D · Voltage-sensor containing phosphatase: “Crystal structure of ciona intestinalis voltage sensor-containing phosphatase (ci-vsp), residues…”. X-ray diffraction, 1 ligand (PO4), 8 pockets (best druggability 0.52). MolNFT v1 #81714 on…

PDB
3V0D
Type
protein
Length
650 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Voltage-sensor containing phosphatase
UniProt
Q4W8A1
Ligands
PO4
Pockets
8 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVoltage-sensor containing phosphataseprotein32526% helix, 32% strandQ4W8A1
BVoltage-sensor containing phosphataseprotein32527% helix, 31% strandQ4W8A1

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11720.520.7828empty
22220.500.7537empty
31240.460.7833empty
41020.430.7828empty
5830.400.7820empty

Interfaces

1 interface between chains.

  • A–B · 332 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 3V0D · Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP)… · the same entry in another collection · chain A against A, TM-score 1.00

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