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MolNFT v1 · #157044 · protein

Carbon regulatory pii-like protein sbtb from cyanobium sp. 7001 bound to camp

6MMQ: “Carbon regulatory pii-like protein sbtb from cyanobium sp. 7001 bound to camp”. X-ray diffraction, 1 ligand (CMP), 10 pockets (best druggability 0.60). MolNFT v1 #157044 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6MMQ
Type
protein
Length
510 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbon regulatory pii-like protein sbtb
UniProt
B5II98
Ligands
CMP
Pockets
10 · best druggability 0.60

Structure

x-ray diffraction · 5 distinct chains · 33% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, ECarbon regulatory pii-like protein sbtbprotein8235% helix, 44% strandB5II98
BCarbon regulatory pii-like protein sbtbprotein9031% helix, 43% strandB5II98
DCarbon regulatory pii-like protein sbtbprotein8433% helix, 42% strandB5II98
CCarbon regulatory pii-like protein sbtbprotein8733% helix, 43% strandB5II98
FCarbon regulatory pii-like protein sbtbprotein8534% helix, 44% strandB5II98

Ligands and binding sites

  • CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 6 copies · chains A, D, B, C, F, E

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12520.600.7932empty
2970.550.8530empty
31350.540.8131empty
42320.530.7730CMP
51250.490.8024CMP

Interfaces

9 interfaces between chains.

  • A–B · 818 Ų buried · 18 hydrogen bonds · protein-protein
  • C–E · 746 Ų buried · 16 hydrogen bonds · protein-protein
  • C–F · 739 Ų buried · 16 hydrogen bonds · protein-protein
  • B–D · 709 Ų buried · 16 hydrogen bonds · protein-protein
  • E–F · 694 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6MMQ · Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to cAMP · the same entry in another collection · chain A against A, TM-score 1.00

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