SMTL ID : 4m3c.1 (1 other biounit)

Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.50 Å

Oligo State

hetero-oligomer

Ligands

4 x CA: CALCIUM ION(Non-covalent)

CA.1: 4 residues within 4Å: Chain A: D.128, Y.130, N.132, D.137 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.128, A:D.128, A:Y.130, H2O.1, H2O.1 CA.4: 4 residues within 4Å: Chain B: D.128, Y.130, N.132, D.137 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.128, B:Y.130, B:D.137, H2O.3, H2O.3 CA.7: 4 residues within 4Å: Chain C: D.128, Y.130, N.132, D.137 5 PLIP interactions: 3 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:D.128, C:Y.130, C:D.137, H2O.4, H2O.4 CA.11: 4 residues within 4Å: Chain D: D.128, Y.130, N.132, D.137 5 PLIP interactions: 3 interactions with chain D, 2 Ligand-Water interactions Metal complexes: D:D.128, D:Y.130, D:D.137, H2O.5, H2O.5

4 x MN: MANGANESE (II) ION(Non-covalent)

MN.2: 5 residues within 4Å: Chain A: E.126, D.128, D.137, H.142, S.152 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.126, A:D.128, A:D.137, A:H.142, H2O.1 MN.5: 4 residues within 4Å: Chain B: E.126, D.128, D.137, H.142 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.126, B:D.128, B:D.137, B:H.142, H2O.3, H2O.3 MN.8: 5 residues within 4Å: Chain C: E.126, D.128, D.137, H.142, S.152 6 PLIP interactions: 4 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:E.126, C:D.128, C:D.137, C:H.142, H2O.4, H2O.4 MN.12: 5 residues within 4Å: Chain D: E.126, D.128, D.137, H.142, S.152 5 PLIP interactions: 4 interactions with chain D, 1 Ligand-Water interactions Metal complexes: D:E.126, D:D.128, D:D.137, D:H.142, H2O.6

4 x ABU: GAMMA-AMINO-BUTANOIC ACID(Non-covalent)

ABU.3: 10 residues within 4Å: Chain A: N.2, T.3, D.4, I.57, N.58, W.207, S.235 Chain D: T.7, F.8, N.17 9 PLIP interactions: 8 interactions with chain A, 1 interactions with chain D Hydrophobic interactions: A:D.4, A:N.58, A:W.207 Hydrogen bonds: A:N.2, A:T.3, A:T.3, A:N.58, A:S.235, D:N.17 ABU.6: 9 residues within 4Å: Chain B: N.2, D.4, I.57, N.58, W.207, S.235, K.236, L.237 Chain C: N.17 10 PLIP interactions: 2 interactions with chain C, 8 interactions with chain B Hydrogen bonds: C:N.17, B:N.2, B:D.4, B:S.235 Water bridges: C:Q.15, B:T.3, B:N.58 Hydrophobic interactions: B:N.2, B:D.4, B:N.58 ABU.9: 8 residues within 4Å: Chain B: F.8, N.17 Chain C: N.2, D.4, I.57, N.58, W.207, S.235 10 PLIP interactions: 2 interactions with chain B, 8 interactions with chain C Hydrogen bonds: B:N.17, C:N.2, C:N.58, C:N.58, C:N.58, C:S.235 Water bridges: B:T.7 Hydrophobic interactions: C:N.2, C:N.58, C:W.207 ABU.13: 11 residues within 4Å: Chain A: F.6, T.7, F.8, K.12, Q.15, N.17 Chain D: N.2, T.3, D.4, N.58, W.207 11 PLIP interactions: 7 interactions with chain D, 4 interactions with chain A Hydrophobic interactions: D:N.2, D:N.58, D:W.207 Hydrogen bonds: D:T.3, D:D.4, D:D.4, D:N.58, A:T.7, A:K.12, A:Q.15, A:N.17

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.10: 7 residues within 4Å: Chain C: K.19, L.52, Y.53, A.54, V.97, S.98, S.209 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:Y.53, C:S.209 GOL.14: 3 residues within 4Å: Chain C: T.171, V.180 Chain D: K.167 2 PLIP interactions: 2 interactions with chain D Water bridges: D:L.169, D:L.169

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Surya, S. et al., Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds. To be Published

Release Date

2013-09-18

Peptides

Lectin Alpha chain: AC
Lectin Beta Chain: BD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

B
B

D
D

Lectin Alpha chain

Lectin Beta Chain