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Crystal structure of the mycobacterium tuberculosis tat-secreted protein RV2525C in complex with hepes (monoclinic crystal form II)

Analyse Crystal structure of the mycobacterium tuberculosis tat-secreted protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PMR
Type
protein
Length
202 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tat-secreted protein RV2525C
UniProt
P95028
Ligands
NA
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATat-secreted protein RV2525Cprotein20236% helix, 21% strandP95028

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11600.460.7628EPE

Compared structures

  • 4PMR · Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in… · the same entry in another collection · chain A against A, TM-score 1.00

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