SMTL ID : 1vbp.1 (1 other biounit)

Crystal structure of artocarpin-mannopentose complex

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 3.50 Å

Oligo State

homo-tetramer

Ligands

2 x MAN- MAN- MAN- MAN: alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose(Non-covalent)

MAN-MAN-MAN-MAN.1: 9 residues within 4Å: Chain A: G.15, L.89, A.90, T.91, T.93, G.137, D.138, L.139, D.141 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.15, A:G.137, A:D.138, A:D.138, A:L.139, A:L.139 MAN-MAN-MAN-MAN.8: 9 residues within 4Å: Chain C: G.15, L.89, A.90, T.91, T.93, G.137, D.138, L.139, D.141 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:G.15, C:T.91, C:T.93, C:G.137, C:D.138, C:L.139, C:L.139

2 x MAN- MAN- MAN: alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose(Non-covalent)(Non-functional Binders)

MAN-MAN-MAN.2: 11 residues within 4Å: Chain B: G.14, G.15, L.89, A.90, T.91, T.93, G.137, D.138, L.139, D.141 Ligands: SO4.7 No protein-ligand interaction detected (PLIP) MAN-MAN-MAN.9: 11 residues within 4Å: Chain D: G.14, G.15, L.89, A.90, T.91, T.93, G.137, D.138, L.139, D.141 Ligands: SO4.14 No protein-ligand interaction detected (PLIP)

10 x SO4: SULFATE ION(Non-functional Binders)(Non-covalent)

SO4.3: 3 residues within 4Å: Chain A: N.16, G.17, R.135 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.16, A:G.17, A:G.17 Salt bridges: A:R.135 SO4.4: 2 residues within 4Å: Chain A: Q.3 Chain D: Q.3 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain D Hydrogen bonds: A:Q.3, D:Q.3 SO4.5: 2 residues within 4Å: Chain B: G.17, R.135 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:G.17 Salt bridges: B:R.135 SO4.6: 4 residues within 4Å: Chain B: F.86, S.87, R.97, E.116 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:S.87, B:S.87 Salt bridges: B:R.97 SO4.7: 1 residues within 4Å: Ligands: MAN-MAN-MAN.2 No protein-ligand interaction detected (PLIP) SO4.10: 3 residues within 4Å: Chain C: N.16, G.17, R.135 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:N.16, C:G.17, C:G.17 Salt bridges: C:R.135 SO4.11: 2 residues within 4Å: Chain B: Q.3 Chain C: Q.3 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain C Hydrogen bonds: B:Q.3, C:Q.3 SO4.12: 2 residues within 4Å: Chain D: G.17, R.135 2 PLIP interactions: 2 interactions with chain D Hydrogen bonds: D:G.17 Salt bridges: D:R.135 SO4.13: 4 residues within 4Å: Chain D: F.86, S.87, R.97, E.116 3 PLIP interactions: 3 interactions with chain D Hydrogen bonds: D:S.87, D:S.87 Salt bridges: D:R.97 SO4.14: 1 residues within 4Å: Ligands: MAN-MAN-MAN.9 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Jeyaprakash, A.A. et al., Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity. J.Mol.Biol. (2004)

Release Date

2004-06-15

Peptides

artocarpin: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
A

D
B

artocarpin

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