SMTL ID : 2jdu.1

Mutant (G24N) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-tetramer

Ligands

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 1 residues within 4Å: Ligands: SO4.6 2 PLIP interactions: 2 interactions with chain B Water bridges: B:S.60, B:S.60 GOL.4: 4 residues within 4Å: Chain A: A.38, A.39, T.40, Q.54 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:T.40, A:T.40, A:T.40, A:T.40, A:Q.54

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

SO4.2: 6 residues within 4Å: Chain A: S.23, S.24, N.25, D.97, D.100, D.105 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.24, A:N.25, A:D.105 SO4.3: 4 residues within 4Å: Chain A: Q.44, S.45, N.47, A.49 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:Q.44, A:S.45, A:N.47 Water bridges: A:T.46, A:T.46, A:N.47 SO4.5: 5 residues within 4Å: Chain B: S.23, N.25, D.97, D.100, D.105 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:S.24, B:N.25, B:D.105 SO4.6: 5 residues within 4Å: Chain B: V.33, N.34, G.59, S.60 Ligands: GOL.1 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:N.34, B:S.60, B:S.60 Water bridges: B:V.33, B:S.60, B:S.61 SO4.10: 4 residues within 4Å: Chain C: V.33, N.34, G.59, S.60 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:N.34, C:S.60, C:S.60 Water bridges: C:S.61, C:S.61 SO4.11: 3 residues within 4Å: Chain C: N.12, T.13, R.14 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:R.14 Water bridges: C:L.114 Salt bridges: C:R.14 SO4.15: 4 residues within 4Å: Chain D: S.45, T.46, N.47, A.49 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:S.45, D:T.46, D:N.47, D:N.47 Water bridges: D:Q.44

4 x CA: CALCIUM ION(Non-covalent)

CA.7: 6 residues within 4Å: Chain C: E.96, D.100, D.102, D.105 Ligands: CA.8, MFU.9 5 PLIP interactions: 5 interactions with chain C Metal complexes: C:E.96, C:E.96, C:D.100, C:D.102, C:D.105 CA.8: 7 residues within 4Å: Chain C: N.22, D.102, N.104, D.105 Chain D: G.115 Ligands: CA.7, MFU.9 4 PLIP interactions: 3 interactions with chain C, 1 interactions with chain D Metal complexes: C:N.22, C:D.102, C:D.105, D:G.115 CA.12: 7 residues within 4Å: Chain C: G.115 Chain D: N.22, D.102, N.104, D.105 Ligands: CA.13, MFU.14 4 PLIP interactions: 3 interactions with chain D, 1 interactions with chain C Metal complexes: D:N.22, D:D.102, D:D.105, C:G.115 CA.13: 6 residues within 4Å: Chain D: E.96, D.100, D.102, D.105 Ligands: CA.12, MFU.14 5 PLIP interactions: 5 interactions with chain D Metal complexes: D:E.96, D:E.96, D:D.100, D:D.102, D:D.105

2 x MFU: methyl alpha-L-fucopyranoside(Non-covalent)

MFU.9: 12 residues within 4Å: Chain C: N.22, S.23, S.24, N.25, E.96, D.97, D.100, D.102, D.105 Chain D: G.115 Ligands: CA.7, CA.8 6 PLIP interactions: 5 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:S.24, C:D.105, D:G.115 Water bridges: C:S.24, C:T.99, C:D.100 MFU.14: 11 residues within 4Å: Chain C: G.115 Chain D: N.22, S.23, S.24, E.96, D.97, D.100, D.102, D.105 Ligands: CA.12, CA.13 3 PLIP interactions: 1 interactions with chain C, 2 interactions with chain D Hydrogen bonds: C:G.115, D:S.24 Water bridges: D:D.100

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Adam, J. et al., Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference. Bmc Struct.Biol. (2007)

Release Date

2007-06-12

Peptides

FUCOSE-BINDING LECTIN PA-IIL: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

FUCOSE-BINDING LECTIN PA-IIL

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