SMTL ID : 3pbf.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 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: GOL.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.106 CA.5: 5 residues within 4Å: Chain B: E.115, E.122, N.134, D.135 Ligands: GOL.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.263 CA.9: 5 residues within 4Å: Chain C: E.115, E.122, N.134, D.135 Ligands: GOL.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.420

9 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 10 residues within 4Å: Chain A: G.29, S.30, M.31, L.32, S.40, T.41, I.77, K.80, Y.81 Chain C: Q.28 7 PLIP interactions: 6 interactions with chain A, 1 interactions with chain C Hydrogen bonds: A:S.40, A:T.41, A:K.80, A:Y.81, A:Y.81, C:Q.28 Water bridges: A:K.80 GOL.3: 6 residues within 4Å: Chain A: P.95, G.96, P.116, R.117, G.118, Q.119 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.119, A:Q.119 Water bridges: A:G.96, A:P.116 GOL.4: 7 residues within 4Å: Chain A: E.115, R.117, E.122, N.134, D.135, R.136 Ligands: CA.1 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:E.115, A:E.122, A:N.134 Water bridges: A:R.117, A:R.117 GOL.6: 10 residues within 4Å: Chain A: Q.28 Chain B: G.29, S.30, M.31, L.32, S.40, T.41, I.77, K.80, Y.81 7 PLIP interactions: 6 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:S.40, B:T.41, B:K.80, B:Y.81, B:Y.81, A:Q.28 Water bridges: B:K.80 GOL.7: 6 residues within 4Å: Chain B: P.95, G.96, P.116, R.117, G.118, Q.119 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:Q.119, B:Q.119 Water bridges: B:G.96, B:P.116 GOL.8: 7 residues within 4Å: Chain B: E.115, R.117, E.122, N.134, D.135, R.136 Ligands: CA.5 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:E.115, B:E.122, B:N.134 Water bridges: B:R.117 GOL.10: 10 residues within 4Å: Chain B: Q.28 Chain C: G.29, S.30, M.31, L.32, S.40, T.41, I.77, K.80, Y.81 7 PLIP interactions: 6 interactions with chain C, 1 interactions with chain B Hydrogen bonds: C:S.40, C:T.41, C:K.80, C:Y.81, C:Y.81, B:Q.28 Water bridges: C:K.80 GOL.11: 6 residues within 4Å: Chain C: P.95, G.96, P.116, R.117, G.118, Q.119 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:Q.119, C:Q.119 Water bridges: C:G.96, C:P.116 GOL.12: 7 residues within 4Å: Chain C: E.115, R.117, E.122, N.134, D.135, R.136 Ligands: CA.9 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:E.115, C:E.122, C:N.134 Water bridges: 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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