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MolNFT v1 · #117550 · protein

Crystal structure of ECCB1 of mycobacterium tuberculosis in spacegroup P21 (state IV)

5EBD · Esx-1 secretion system protein ECCB1: “Crystal structure of ECCB1 of mycobacterium tuberculosis in spacegroup P21 (state IV)”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.49). MolNFT v1 #117550 on…

PDB
5EBD
Type
protein
Length
379 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Esx-1 secretion system protein ECCB1
UniProt
P9WNR7
Ligands
CA, CL
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEsx-1 secretion system protein ECCB1protein37914% helix, 32% strandP9WNR7

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.490.8413empty
2500.340.7914empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5EBD · Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state IV) · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WNR7 · AlphaFold monomer V2.0 prediction for esx-1 secretion system ATPase ECCB1 (P9WNR7) · a predicted model of the same protein · chain A against A, TM-score 0.89

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