GL1X · GenesisL1 explorer

MolNFT v1 · #157588 · protein

Pii-like sbtb from cyanobium sp pcc 7001 (apo)

6N4A: “Pii-like sbtb from cyanobium sp pcc 7001 (apo)”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.73). MolNFT v1 #157588 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6N4A
Type
protein
Length
508 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pii-like sbtb
UniProt
B5II98
Ligands
PO4
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APii-like sbtbprotein8533% helix, 45% strandB5II98
BPii-like sbtbprotein8432% helix, 44% strandB5II98
C, E, FPii-like sbtbprotein8534% helix, 44% strandB5II98
DPii-like sbtbprotein8433% helix, 40% strandB5II98

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17590.730.7971PO4
21000.500.8233PO4
31060.450.7924empty

Interfaces

11 interfaces between chains.

  • D–E · 993 Ų buried · 22 hydrogen bonds · protein-protein
  • A–C · 965 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 937 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 915 Ų buried · 19 hydrogen bonds · protein-protein
  • D–F · 695 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6N4A · PII-like SbtB from Cyanobium sp PCC 7001 (apo) · the same entry in another collection · chain A against A, TM-score 1.00

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