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MolNFT v1 · #184406 · protein

Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno- configured cyclophellitol aziridine

7OP6: “Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno- configured cyclophellitol aziridine”. X-ray diffraction, 6 ligands (JIW, JIT, VKH). MolNFT v1 #184406 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OP6
Type
protein
Length
1,676 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8AAK6
Ligands
JIW, JIT, VKH, NA, CL, BR

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein837—Q8AAK6
B—protein839—Q8AAK6

Ligands and binding sites

  • JIW · beta-D-manno-configured cyclophellitol aziridine, reacted form · ligand · chains A
  • JIT · beta-D-manno-configured cyclophellitol aziridine · ligand · chains B
  • VKH · (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol · ligand · chains B
  • NA · Sodium ion · metal · 3 copies · chains A, B
  • CL · Chloride ion · ion · 14 copies · chains A, B
  • BR · Bromide ion · ion · 10 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 32 copies · chains A, B

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

Compared structures

  • 7OP6 · Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol… · the same entry in another collection · chain A against A, TM-score 1.00

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