SMTL ID : 2jh7.1

Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 6'-sialyl-N-acetyllactosamine

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.07 Å

Oligo State

monomer

Ligands

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose(Non-covalent)

GAL-SIA.1: 4 residues within 4Å: Chain A: K.200, H.202, Y.203, T.204 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:H.202, A:H.202, A:T.204, A:T.204 Water bridges: A:H.202 Salt bridges: A:H.202

13 x ACT: ACETATE ION(Non-functional Binders)

ACT.2: 5 residues within 4Å: Chain A: Q.62, H.108, A.109, T.110 Ligands: ACT.10 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:Q.62, A:Q.62, A:T.110 Water bridges: A:R.111 Salt bridges: A:H.108 ACT.6: 4 residues within 4Å: Chain A: Y.130, C.181, S.218, C.226 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.130, A:S.218 Water bridges: A:C.226 ACT.7: 3 residues within 4Å: Chain A: P.47, S.48, S.49 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.48, A:S.49, A:S.49 ACT.8: 6 residues within 4Å: Chain A: P.96, C.97, P.98, L.170, Y.171, S.172 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:L.170 Hydrogen bonds: A:P.96, A:Y.171, A:S.172, A:S.172 ACT.9: 3 residues within 4Å: Chain A: N.86, T.94, K.166 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.86 Salt bridges: A:K.166 ACT.10: 5 residues within 4Å: Chain A: K.43, S.106, N.107, H.108 Ligands: ACT.2 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.106, A:H.108 Salt bridges: A:K.43, A:H.108 ACT.11: 5 residues within 4Å: Chain A: I.32, E.35, L.36, R.111 Ligands: ACT.15 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:R.111 ACT.13: 3 residues within 4Å: Chain A: S.74, H.102, N.105 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:H.102 ACT.14: 2 residues within 4Å: Chain A: C.91, G.92 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:H.93 ACT.15: 4 residues within 4Å: Chain A: E.35, L.36, S.39 Ligands: ACT.11 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:S.39 ACT.16: 4 residues within 4Å: Chain A: R.19, Q.22, Q.23, Y.171 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:Q.22, A:Q.23 Water bridges: A:R.54, A:R.54, A:R.54 Salt bridges: A:R.19 ACT.17: 1 residues within 4Å: Chain A: E.31 1 PLIP interactions: 1 interactions with chain A Water bridges: A:E.31 ACT.18: 1 residues within 4Å: Chain A: A.16 No protein-ligand interaction detected (PLIP)

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

CL.3: 6 residues within 4Å: Chain A: S.17, D.89, D.90, C.187, P.188 Ligands: GOL.4 Ligand excluded by PLIP CL.12: 3 residues within 4Å: Chain A: R.111, E.113, I.114 Ligand excluded by PLIP

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.4: 10 residues within 4Å: Chain A: S.17, D.90, C.91, F.126, C.127, S.128, W.185, C.187, D.230 Ligands: CL.3 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.128, A:D.230 Water bridges: A:G.18 GOL.5: 4 residues within 4Å: Chain A: Y.20, R.125, D.230, E.231 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.230, A:E.231 Water bridges: A:R.125, A:R.125, A:D.230, A:E.231

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Blumenschein, T.M.A. et al., Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J. (2007)

Release Date

2007-05-22

Peptides

MICRONEMAL PROTEIN 1: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

MICRONEMAL PROTEIN 1

Related Entries With Identical Sequence