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MolNFT v1 · #145886 · protein

Zebrafish TRAP1 bound to amppnp and calcium in the asymmetric closed state

6D14 · TNF receptor-associated protein 1: “Zebrafish TRAP1 bound to amppnp and calcium in the asymmetric closed state”. X-ray diffraction, 2 ligands (ANP, CA), 17 pockets (best druggability 0.79). MolNFT v1 #145886 on GenesisL1: 3D…

PDB
6D14
Type
protein
Length
1,185 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TNF receptor-associated protein 1
UniProt
A8WFV1
Ligands
ANP, CA
Pockets
17 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATNF receptor-associated protein 1protein58038% helix, 20% strandA8WFV1
BTNF receptor-associated protein 1protein60541% helix, 21% strandA8WFV1

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12630.790.9150ANP, CA
22770.750.8844ANP
36230.690.7870empty
44300.670.7948empty
55100.630.7646empty

Interfaces

1 interface between chains.

  • A–B · 5752 Ų buried · 71 hydrogen bonds · protein-protein

Compared structures

  • 6D14 · Zebrafish TRAP1 bound to AMPPNP and calcium in the asymmetric closed state · the same entry in another collection · chain A against A, TM-score 1.00

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