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MolNFT v1 · #30047 · protein

Crystal structure of eba-175 region II (rii) crystallized in the presence of (ALPHA)2,3-sialyllactose

1ZRO · Erythrocyte binding antigen region II: “Crystal structure of eba-175 region II (rii) crystallized in the presence of (ALPHA)2,3-sialyllactose”. X-ray diffraction, 2 ligands (SO4, CL), 17 pockets (best druggability 0.81). MolNFT v1…

PDB
1ZRO
Type
protein
Length
1,176 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Erythrocyte binding antigen region II
UniProt
Q25735
Ligands
SO4, CL
Pockets
17 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BErythrocyte binding antigen region IIprotein58864% helix, 3% strandQ25735

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 16 copies · chains A, B
  • CL · Chloride ion · ion · 4 copies · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110160.810.8282SO4
210540.810.8290SO4
36460.720.7968SO4
46140.710.7960SO4
51300.640.8723empty

Interfaces

1 interface between chains.

  • A–B · 1756 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 26 disulfide (disulfide).

Compared structures

  • 1ZRO · Crystal structure of EBA-175 Region II (RII) crystallized in the presence of… · the same entry in another collection · chain A against A, TM-score 1.00

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