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MolNFT v1 · #177105 · protein

Crystal structure analysis of the streptococcus agalactiae ribose binding protein rbsb

7E7M · D-ribose ABC transporter substrate-binding protein: “Crystal structure analysis of the streptococcus agalactiae ribose binding protein rbsb”. X-ray diffraction, 1 ligand (RIP), 9 pockets (best druggability 0.78). MolNFT v1 #177105…

PDB
7E7M
Type
protein
Length
1,120 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-ribose ABC transporter substrate-binding protein
UniProt
A0A6H3FYP2
Ligands
RIP
Pockets
9 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD-ribose ABC transporter substrate-binding proteinprotein28342% helix, 22% strandA0A6H3FYP2
BD-ribose ABC transporter substrate-binding proteinprotein28044% helix, 21% strandA0A6H3FYP2
CD-ribose ABC transporter substrate-binding proteinprotein28446% helix, 20% strandA0A6H3FYP2
DD-ribose ABC transporter substrate-binding proteinprotein27345% helix, 19% strandA0A6H3FYP2

Ligands and binding sites

  • RIP · beta-D-ribopyranose · ligand · 4 copies · chains A, B, C, D

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17600.780.8281empty
22650.700.8537empty
34790.690.8048empty
43540.580.7644empty
5840.500.8316empty

Interfaces

5 interfaces between chains.

  • A–B · 645 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 598 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 453 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 451 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 72 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7E7M · Crystal Structure Analysis of the Streptococcus agalactiae Ribose Binding Protein RbsB · the same entry in another collection · chain D against D, TM-score 1.00

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