SMTL ID : 4rus.1 (2 other biounits)

Carp Fishelectin, holo form

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-dimer

Ligands

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

NAG-NAG.1: 6 residues within 4Å: Chain A: K.11, N.25, L.26, N.27, K.45, T.59 No protein-ligand interaction detected (PLIP) NAG-NAG.2: 6 residues within 4Å: Chain B: K.11, N.25, L.26, N.27, K.45, T.59 No protein-ligand interaction detected (PLIP)

2 x CA: CALCIUM ION(Non-covalent)

CA.3: 3 residues within 4Å: Chain A: D.14, D.82, E.170 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.14, A:D.14, A:D.82, A:E.170, H2O.1 CA.8: 3 residues within 4Å: Chain B: D.14, D.82, E.170 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.14, B:D.14, B:D.82, B:E.170, H2O.7

3 x NDG: 2-acetamido-2-deoxy-alpha-D-glucopyranose(Non-functional Binders)(Non-covalent)

NDG.4: 5 residues within 4Å: Chain A: G.164, L.165, L.166, Y.187, W.202 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:L.166, A:Y.187, A:W.202 Hydrogen bonds: A:L.165 Water bridges: A:N.181 NDG.9: 5 residues within 4Å: Chain B: G.76, L.77, L.78, Y.99, W.116 6 PLIP interactions: 6 interactions with chain B Hydrophobic interactions: B:L.78, B:Y.99, B:W.116 Hydrogen bonds: B:L.77, B:W.116 Water bridges: B:N.93 NDG.10: 5 residues within 4Å: Chain B: G.164, L.165, L.166, Y.187, W.202 5 PLIP interactions: 5 interactions with chain B Hydrophobic interactions: B:L.166, B:Y.187, B:W.202 Hydrogen bonds: B:L.165 Water bridges: B:N.181

1 x 1PE: PENTAETHYLENE GLYCOL(Non-covalent)

1PE.5: 7 residues within 4Å: Chain A: G.76, L.77, L.78, N.93, Y.95, Y.99, W.116 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:L.77, A:L.77, A:N.93

2 x MG: MAGNESIUM ION(Non-covalent)(Post Translational Modification)

MG.6: 1 residues within 4Å: Chain A: D.7 2 PLIP interactions: 1 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.7, H2O.3 MG.7: 4 residues within 4Å: Chain A: D.86, S.150 Chain B: D.86, S.150 5 PLIP interactions: 1 interactions with chain A, 2 interactions with chain B, 2 Ligand-Water interactions Metal complexes: A:D.86, B:D.86, B:D.86, H2O.7, H2O.12

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Capaldi, S. et al., Three-dimensional structure and ligand-binding site of carp fishelectin (FEL). Acta Crystallogr.,Sect.D (2015)

Release Date

2015-04-08

Peptides

Fish-egg lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Fish-egg lectin

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