SMTL ID : 1pum.1

Mistletoe lectin I in complex with galactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

hetero-1-1-mer

Ligands

1 x NAG- NDG: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NDG.1: 9 residues within 4Å: Chain A: F.214, N.215, P.217 Chain B: I.11, V.12, N.44, L.49, N.136 Ligands: GOL.20 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:V.12, B:I.11 Hydrogen bonds: B:I.11, B:N.44, B:N.44, B:N.136, B:N.44 Water bridges: B:I.11, B:I.11, B:R.13

1 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.2: 6 residues within 4Å: Chain B: W.94, N.96, Y.126, L.228 Ligands: GOL.22, GOL.24 1 PLIP interactions: 1 interactions with chain B Hydrophobic interactions: B:W.94

1 x NAG- FUL: beta-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-FUL.3: 3 residues within 4Å: Chain B: D.27, F.29, N.61 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:F.29 Hydrogen bonds: B:N.61

1 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG.4: 4 residues within 4Å: Chain A: K.90, D.91, N.112, D.117 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:D.91 Hydrogen bonds: A:K.90

2 x CL: CHLORIDE ION(Non-covalent)

CL.5: 2 residues within 4Å: Chain A: L.4, S.5 Ligand excluded by PLIP CL.6: 3 residues within 4Å: Chain A: Q.205, H.208, N.216 Ligand excluded by PLIP

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

SO4.7: 6 residues within 4Å: Chain A: P.93, A.94, G.95, A.96, E.97, T.98 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:G.95, A:E.97, A:E.97, A:T.98 SO4.8: 6 residues within 4Å: Chain A: Y.76, G.113, Y.115, I.160, E.165, R.168 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.115, A:E.165 Salt bridges: A:R.168

16 x GOL: GLYCEROL(Non-functional Binders)

GOL.9: 4 residues within 4Å: Chain A: R.41, Q.42, T.44, I.45 Ligand excluded by PLIP GOL.10: 6 residues within 4Å: Chain A: P.171, W.174, R.175, Q.178 Chain B: Y.146, D.150 Ligand excluded by PLIP GOL.11: 3 residues within 4Å: Chain A: S.148, T.149, R.150 Ligand excluded by PLIP GOL.12: 4 residues within 4Å: Chain A: G.63, D.64, S.65, R.143 Ligand excluded by PLIP GOL.13: 3 residues within 4Å: Chain A: G.83, D.84, R.143 Ligand excluded by PLIP GOL.14: 7 residues within 4Å: Chain A: V.228, R.234, D.235 Chain B: R.141, L.176, P.261 Ligands: GOL.18 Ligand excluded by PLIP GOL.15: 5 residues within 4Å: Chain A: E.119, H.124, R.125, D.126, L.193 Ligand excluded by PLIP GOL.18: 8 residues within 4Å: Chain A: R.234, D.235 Chain B: L.133, R.141, L.176, Y.177, G.178 Ligands: GOL.14 Ligand excluded by PLIP GOL.19: 4 residues within 4Å: Chain B: E.142, E.170, R.173, K.185 Ligand excluded by PLIP GOL.20: 8 residues within 4Å: Chain B: I.11, P.46, L.49, T.51, R.59, S.60, N.61 Ligands: NAG-NDG.1 Ligand excluded by PLIP GOL.21: 2 residues within 4Å: Chain B: R.196, S.198 Ligand excluded by PLIP GOL.22: 7 residues within 4Å: Chain B: N.96, V.218, L.226, N.227, L.228, G.231 Ligands: NAG-NAG.2 Ligand excluded by PLIP GOL.23: 8 residues within 4Å: Chain A: W.174, R.177 Chain B: G.147, F.148, R.149, D.150, P.255, M.258 Ligand excluded by PLIP GOL.24: 6 residues within 4Å: Chain B: Q.92, W.94, I.100, P.102, N.105 Ligands: NAG-NAG.2 Ligand excluded by PLIP GOL.25: 4 residues within 4Å: Chain B: D.55, R.59, N.82, R.86 Ligand excluded by PLIP GOL.26: 5 residues within 4Å: Chain B: T.66, F.79, A.84, V.85, A.88 Ligand excluded by PLIP

2 x GAL: beta-D-galactopyranose(Non-functional Binders)

GAL.16: 10 residues within 4Å: Chain B: D.23, V.24, R.25, D.26, D.27, Q.36, W.38, K.41, N.47, Q.48 10 PLIP interactions: 10 interactions with chain B Hydrogen bonds: B:D.26, B:D.26, B:D.27, B:Q.36, B:K.41, B:K.41, B:N.47, B:N.47 Water bridges: B:R.25, B:Q.36 GAL.17: 7 residues within 4Å: Chain B: D.235, V.236, A.237, Q.238, I.247, Y.249, N.256 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.235, B:Q.238, B:N.256, B:N.256

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Mikeska, R. et al., Mistletoe lectin I in complex with galactose and lactose reveals distinct sugar-binding properties. Acta Crystallogr.,Sect.F (2005)

Release Date

2004-06-25

Peptides

lectin I A chain: A
lectin I B chain: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

lectin I A chain

lectin I B chain

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