SMTL ID : 5hcb.1

Globular Domain of the Entamoeba histolytica calreticulin in complex with glucose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.90 Å

Oligo State

homo-dimer

Ligands

4 x SO4: SULFATE ION(Non-functional Binders)

SO4.1: 3 residues within 4Å: Chain A: N.71, R.159, I.238 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.71 Salt bridges: A:R.159 SO4.2: 3 residues within 4Å: Chain A: I.157, R.159, K.167 2 PLIP interactions: 2 interactions with chain A Salt bridges: A:R.159, A:K.167 SO4.6: 3 residues within 4Å: Chain B: N.71, R.159, I.238 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:N.71 Salt bridges: B:R.159 SO4.7: 3 residues within 4Å: Chain B: R.159, K.167, I.238 2 PLIP interactions: 2 interactions with chain B Salt bridges: B:R.159, B:K.167

2 x CA: CALCIUM ION(Non-covalent)

CA.3: 5 residues within 4Å: Chain A: T.10, N.43, K.44, D.230, R.251 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:T.10, A:D.230, A:D.230 CA.8: 6 residues within 4Å: Chain B: T.10, N.43, K.44, D.230, D.231, R.251 1 PLIP interactions: 1 interactions with chain B Metal complexes: B:T.10

2 x CL: CHLORIDE ION(Non-functional Binders)

CL.4: 6 residues within 4Å: Chain A: H.127, V.128, I.129, L.138, I.139 Chain B: R.140 Ligand excluded by PLIP CL.9: 5 residues within 4Å: Chain A: R.140 Chain B: H.127, V.128, L.138, I.139 Ligand excluded by PLIP

1 x GOL: GLYCEROL(Non-functional Binders)

GOL.5: 2 residues within 4Å: Chain A: Y.210, D.211 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.211, A:D.211

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Moreau, C. et al., Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties. IUCrJ (2016)

Release Date

2016-08-31

Peptides

Calreticulin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Calreticulin

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