SMTL ID : 2jh1.1

Crystal structure of Toxoplasma gondii micronemal protein 1

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

monomer

Ligands

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

ACT.1: 3 residues within 4Å: Chain A: H.202, Y.203, T.204 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:T.204, A:T.204 Salt bridges: A:H.202 ACT.2: 5 residues within 4Å: Chain A: Q.62, H.108, A.109, T.110 Ligands: ACT.7 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.3: 3 residues within 4Å: Chain A: P.47, S.48, S.49 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.48, A:S.49 ACT.4: 4 residues within 4Å: Chain A: R.19, Q.22, Q.23, Y.171 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:Q.22, A:Q.23 Water bridges: A:R.54, A:R.54 Salt bridges: A:R.19 ACT.5: 5 residues within 4Å: Chain A: N.86, T.94, P.96, K.166, A.167 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.86 Salt bridges: A:K.166 ACT.6: 2 residues within 4Å: Chain A: M.24, R.28 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:M.24 Salt bridges: A:R.28 ACT.7: 6 residues within 4Å: Chain A: K.43, S.106, N.107, H.108 Ligands: ACT.2, ACT.18 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.107, A:H.108 Salt bridges: A:K.43, A:H.108 ACT.8: 6 residues within 4Å: Chain A: P.96, C.97, P.98, L.170, Y.171, S.172 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:L.170 Hydrogen bonds: A:P.96, A:Y.171, A:S.172 ACT.9: 7 residues within 4Å: Chain A: W.161, E.176, C.177, A.178, G.182, T.183, T.184 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:A.178 Hydrogen bonds: A:E.176, A:C.177 ACT.10: 5 residues within 4Å: Chain A: Y.130, C.181, S.218, C.220, C.226 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.218 Water bridges: A:C.226 ACT.11: 5 residues within 4Å: Chain A: H.93, N.139, G.144, T.145, K.166 4 PLIP interactions: 4 interactions with chain A Water bridges: A:H.93, A:K.166 Salt bridges: A:H.93, A:K.166 ACT.15: 3 residues within 4Å: Chain A: N.155, N.156, V.157 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:V.157 Hydrogen bonds: A:N.156 ACT.16: 5 residues within 4Å: Chain A: C.91, H.93, C.127, A.132, N.135 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:A.132 Hydrogen bonds: A:N.135 Salt bridges: A:H.93 ACT.17: 8 residues within 4Å: Chain A: R.149, S.150, K.151, V.173, Y.174, A.175, R.191 Ligands: GOL.19 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:V.173 Hydrogen bonds: A:S.150, A:K.151 Water bridges: A:K.151, A:E.176 Salt bridges: A:K.151 ACT.18: 3 residues within 4Å: Chain A: L.41, K.43 Ligands: ACT.7 1 PLIP interactions: 1 interactions with chain A Hydrophobic interactions: A:L.41

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

CL.12: 6 residues within 4Å: Chain A: S.17, D.89, D.90, C.187, P.188 Ligands: GOL.14 Ligand excluded by PLIP CL.13: 4 residues within 4Å: Chain A: R.111, H.112, E.113, I.114 Ligand excluded by PLIP

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.14: 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.12 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.128, A:W.185, A:D.230 Water bridges: A:G.18, A:C.91, A:C.91 GOL.19: 3 residues within 4Å: Chain A: Y.174, Y.186 Ligands: ACT.17 1 PLIP interactions: 1 interactions with chain A Water bridges: A:K.151

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

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