SMTL ID : 3paq.1

Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-trimer

Ligands

3 x CA: CALCIUM ION(Non-covalent)

CA.1: 5 residues within 4Å: Chain A: E.115, E.122, N.134, D.135 Ligands: MMA.4 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.115, A:E.122, A:D.135, A:D.135, H2O.2 CA.5: 5 residues within 4Å: Chain B: E.115, E.122, N.134, D.135 Ligands: MMA.8 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.115, B:E.122, B:D.135, B:D.135, H2O.4 CA.9: 5 residues within 4Å: Chain C: E.115, E.122, N.134, D.135 Ligands: MMA.12 5 PLIP interactions: 4 interactions with chain C, 1 Ligand-Water interactions Metal complexes: C:E.115, C:E.122, C:D.135, C:D.135, H2O.6

3 x NA: SODIUM ION(Non-functional Binders)

NA.2: 7 residues within 4Å: Chain A: E.91, G.118, Q.119, G.120, K.121, E.122, D.135 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:G.120, A:E.122, A:D.135 Water bridges: A:G.96 NA.6: 7 residues within 4Å: Chain B: E.91, G.118, Q.119, G.120, K.121, E.122, D.135 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:G.118, B:G.120, B:E.122 Water bridges: B:G.96 NA.10: 7 residues within 4Å: Chain C: E.91, G.118, Q.119, G.120, K.121, E.122, D.135 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:G.118, C:G.120, C:E.122 Water bridges: C:G.96

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

SO4.3: 3 residues within 4Å: Chain A: R.136, Q.140, R.142 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.140 Water bridges: A:R.142 Salt bridges: A:R.136, A:R.142 SO4.7: 3 residues within 4Å: Chain B: R.136, Q.140, R.142 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:Q.140 Water bridges: B:R.142 Salt bridges: B:R.136, B:R.142 SO4.11: 3 residues within 4Å: Chain C: R.136, Q.140, R.142 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:Q.140 Water bridges: C:R.142 Salt bridges: C:R.136, C:R.142

3 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)

MMA.4: 8 residues within 4Å: Chain A: E.115, R.117, E.122, Y.128, N.134, D.135, R.136 Ligands: CA.1 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:E.115, A:R.117, A:Y.128, A:N.134, A:R.136 Water bridges: A:E.115, A:E.115, A:R.117 MMA.8: 8 residues within 4Å: Chain B: E.115, R.117, E.122, Y.128, N.134, D.135, R.136 Ligands: CA.5 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:E.115, B:R.117, B:Y.128, B:N.134, B:R.136 Water bridges: B:E.115, B:E.115, B:R.117 MMA.12: 8 residues within 4Å: Chain C: E.115, R.117, E.122, Y.128, N.134, D.135, R.136 Ligands: CA.9 8 PLIP interactions: 8 interactions with chain C Hydrogen bonds: C:E.115, C:R.117, C:Y.128, C:N.134, C:R.136 Water bridges: C:E.115, C:E.115, C:R.117

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Shang, F. et al., Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem. (2011)

Release Date

2010-11-03

Peptides

Pulmonary surfactant-associated protein A: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Pulmonary surfactant-associated protein A

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