SMTL ID : 2yio.1 (1 other biounit)

Crystal Structure of Parasite Sarcocystis muris Microneme Protein SML- 2 in complex with 1-Thio-beta-D-Galactose (SPACEGROUP C2221)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.43 Å

Oligo State

homo-dimer

Ligands

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

CL.1: 3 residues within 4Å: Chain A: A.11, H.12, D.13 Ligand excluded by PLIP CL.2: 2 residues within 4Å: Chain A: E.79, N.81 Ligand excluded by PLIP CL.3: 1 residues within 4Å: Chain A: D.98 Ligand excluded by PLIP CL.4: 1 residues within 4Å: Chain A: T.67 Ligand excluded by PLIP CL.5: 1 residues within 4Å: Chain A: G.116 Ligand excluded by PLIP CL.10: 3 residues within 4Å: Chain B: A.11, H.12, D.13 Ligand excluded by PLIP CL.11: 2 residues within 4Å: Chain B: E.79, N.81 Ligand excluded by PLIP CL.12: 1 residues within 4Å: Chain B: D.98 Ligand excluded by PLIP CL.13: 1 residues within 4Å: Chain B: T.67 Ligand excluded by PLIP CL.14: 1 residues within 4Å: Chain B: G.116 Ligand excluded by PLIP

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

SO4.6: 4 residues within 4Å: Chain A: N.91, P.93, K.128, Y.130 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Y.130, A:Y.130 Water bridges: A:N.91 Salt bridges: A:K.128 SO4.7: 2 residues within 4Å: Chain A: N.52, S.53 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.52 SO4.15: 4 residues within 4Å: Chain B: N.91, P.93, K.128, Y.130 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Y.130 Water bridges: B:N.91 Salt bridges: B:K.128 SO4.16: 2 residues within 4Å: Chain B: N.52, S.53 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:N.52

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.8: 5 residues within 4Å: Chain A: V.7, H.12, S.30, A.31, Q.32 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:H.12, A:A.31, A:Q.32 GOL.17: 5 residues within 4Å: Chain B: V.7, H.12, S.30, A.31, Q.32 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:H.12, B:A.31, B:Q.32

2 x YIO: 1-thio-beta-D-galactopyranose(Non-covalent)

YIO.9: 9 residues within 4Å: Chain A: S.18, Q.22, T.48, N.50, H.57, K.59, Y.66, Y.68, D.71 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.18, A:N.50, A:K.59, A:K.59, A:Y.66, A:D.71 YIO.18: 9 residues within 4Å: Chain B: S.18, Q.22, T.48, N.50, H.57, K.59, Y.66, Y.68, D.71 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:S.18, B:T.48, B:N.50, B:K.59, B:K.59, B:D.71

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Mueller, J.J. et al., Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D (2011)

Release Date

2011-11-02

Peptides

MICRONEME ANTIGEN L2: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

MICRONEME ANTIGEN L2

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