SMTL ID : 8hb5.1

Crystal structure of Mincle in complex with HD-275

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 Å

Oligo State

monomer

Ligands

3 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: E.108, N.110, E.116, N.132, D.133 Ligands: L6N.4 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.108, A:E.116, A:D.133, A:D.133 CA.2: 5 residues within 4Å: Chain A: D.82, E.86, N.111, E.116, D.117 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:D.82, A:D.82, A:E.86, A:E.116, A:D.117 CA.3: 4 residues within 4Å: Chain A: V.56, N.58, E.62, E.145 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:V.56, A:E.62, A:E.145, A:E.145, H2O.1

1 x L6N: (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol(Non-covalent)

L6N.4: 9 residues within 4Å: Chain A: E.108, N.110, L.112, E.116, R.122, N.132, D.133, F.138 Ligands: CA.1 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:E.108, A:E.116, A:R.122, A:R.122, A:N.132

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Ishizuka, S. et al., PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand. Acs Cent.Sci. (2023)

Release Date

2023-08-09

Peptides

C-type lectin domain family 4 member E: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C-type lectin domain family 4 member E

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