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MolNFT v1 · #177756 · protein

Crystal structure of the complex formed by wolbachia cytoplasmic incompatibility factors cida and CIDBND1-ND2 from wpip

7ESY · Bacteria factor 1: “Crystal structure of the complex formed by wolbachia cytoplasmic incompatibility factors cida and CIDBND1-ND2…”. X-ray diffraction, 1 ligand (CA), 16 pockets (best druggability 0.83). MolNFT v1 #177756 on…

PDB
7ESY
Type
protein
Length
1,138 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteria factor 1; ULP_PROTEASE domain-containing protein
UniProt
B3CP62, B3CP63
Ligands
CA
Pockets
16 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteria factor 1protein40666% helix, 3% strandB3CP62
BULP_PROTEASE domain-containing proteinprotein73236% helix, 27% strandB3CP63

Ligands and binding sites

  • CA · Calcium ion · metal · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13530.830.9251empty
23970.820.9167empty
31410.680.8929empty
41130.660.9022empty
5690.630.9222empty

Interfaces

1 interface between chains.

  • A–B · 2615 Ų buried · 51 hydrogen bonds · protein-protein

Compared structures

  • 7ESY · Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors… · the same entry in another collection · chain A against A, TM-score 1.00

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