SMTL ID : 1uzy.1

Erythrina crystagalli lectin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

1 x NAG- FUC- NAG: alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)

NAG-FUC-NAG.1: 4 residues within 4Å: Chain A: N.113, D.118, S.120, Y.121 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.120, A:S.120

2 x BGC- GAL: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-functional Binders)(Non-covalent)

BGC-GAL.2: 11 residues within 4Å: Chain A: A.88, D.89, Y.106, G.107, F.131, N.133, G.217, A.218, Q.219, A.222 Ligands: EPE.6 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:A.218, A:Q.219, A:D.89, A:G.107, A:N.133, A:N.133, A:A.218, A:Q.219 BGC-GAL.4: 10 residues within 4Å: Chain B: A.88, D.89, Y.106, G.107, F.131, N.133, G.217, A.218, Q.219, A.222 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:A.218, B:Q.219, B:D.89, B:G.107, B:N.133, B:N.133, B:A.218, B:Q.219 Water bridges: B:Y.108

1 x NAG- NAG- BMA- XYP- MAN- FUL: beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG-BMA-XYP-MAN-FUL.3: 3 residues within 4Å: Chain B: K.101, N.113, Y.121 1 PLIP interactions: 1 interactions with chain B Water bridges: B:K.101, B:S.120

4 x EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID(Non-functional Binders)(Non-covalent)

EPE.5: 2 residues within 4Å: Chain A: W.45, R.220 2 PLIP interactions: 2 interactions with chain A Water bridges: A:W.45 Salt bridges: A:R.220 EPE.6: 4 residues within 4Å: Chain A: Y.108, P.134, W.135 Ligands: BGC-GAL.2 2 PLIP interactions: 2 interactions with chain A Water bridges: A:Y.108, A:Y.108 EPE.9: 5 residues within 4Å: Chain B: E.79, G.163, Q.164, V.165, Y.229 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:E.79 Water bridges: B:T.225, B:Y.229 Salt bridges: B:E.79 EPE.10: 4 residues within 4Å: Chain B: N.38, A.44, W.45, D.46 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:N.38, B:W.45, B:W.45 Water bridges: B:D.221 Salt bridges: B:D.46

2 x CA: CALCIUM ION(Non-covalent)(Non-functional Binders)

CA.7: 4 residues within 4Å: Chain A: D.129, F.131, N.133, D.136 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.129, A:F.131, A:D.136, H2O.4, H2O.5 CA.11: 4 residues within 4Å: Chain B: D.129, F.131, N.133, D.136 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.129, B:F.131, B:D.136, H2O.13, H2O.14

2 x MN: MANGANESE (II) ION(Non-covalent)(Post Translational Modification)

MN.8: 4 residues within 4Å: Chain A: E.127, D.129, D.136, H.142 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.127, A:D.129, A:D.136, A:H.142, H2O.9, H2O.9 MN.12: 4 residues within 4Å: Chain B: E.127, D.129, D.136, H.142 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.127, B:D.129, B:D.136, B:H.142, H2O.18, H2O.18

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Turton, K. et al., Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology (2004)

Release Date

2004-06-22

Peptides

Lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Lectin

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