SMTL ID : 2jdy.1

Mutant (G24N) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-b-D-mannoyranoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-tetramer

Ligands

4 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)

MMA.1: 12 residues within 4Å: Chain A: N.22, S.23, S.24, N.25, E.96, D.97, D.100, D.102, D.105 Chain B: G.115 Ligands: CA.2, CA.3 7 PLIP interactions: 6 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:S.24, A:N.25, A:D.100, A:D.105, B:G.115 Water bridges: A:N.25, A:D.100 MMA.4: 12 residues within 4Å: Chain A: G.115 Chain B: N.22, S.23, S.24, N.25, E.96, D.97, D.100, D.102, D.105 Ligands: CA.5, CA.6 7 PLIP interactions: 6 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:S.24, B:N.25, B:D.100, B:D.105, A:G.115 Water bridges: B:N.25, B:D.100 MMA.7: 13 residues within 4Å: Chain C: N.22, S.23, S.24, N.25, E.96, D.97, G.98, D.100, D.102, D.105 Chain D: G.115 Ligands: CA.8, CA.9 7 PLIP interactions: 6 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:S.24, C:N.25, C:N.25, C:D.100, C:D.105, C:D.105, D:G.115 MMA.10: 13 residues within 4Å: Chain C: G.115 Chain D: N.22, S.23, S.24, N.25, E.96, D.97, G.98, D.100, D.102, D.105 Ligands: CA.11, CA.12 8 PLIP interactions: 7 interactions with chain D, 1 interactions with chain C Hydrogen bonds: D:S.24, D:N.25, D:N.25, D:D.100, D:D.105, D:D.105, C:G.115 Water bridges: D:S.24

8 x CA: CALCIUM ION(Non-covalent)

CA.2: 7 residues within 4Å: Chain A: N.22, D.102, N.104, D.105 Chain B: G.115 Ligands: MMA.1, CA.3 4 PLIP interactions: 1 interactions with chain B, 3 interactions with chain A Metal complexes: B:G.115, A:N.22, A:D.102, A:D.105 CA.3: 6 residues within 4Å: Chain A: E.96, D.100, D.102, D.105 Ligands: MMA.1, CA.2 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.96, A:E.96, A:D.100, A:D.102, A:D.105 CA.5: 6 residues within 4Å: Chain B: E.96, D.100, D.102, D.105 Ligands: MMA.4, CA.6 5 PLIP interactions: 5 interactions with chain B Metal complexes: B:E.96, B:E.96, B:D.100, B:D.102, B:D.105 CA.6: 7 residues within 4Å: Chain A: G.115 Chain B: N.22, D.102, N.104, D.105 Ligands: MMA.4, CA.5 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A Metal complexes: B:N.22, B:D.102, B:D.105, A:G.115 CA.8: 6 residues within 4Å: Chain C: E.96, D.100, D.102, D.105 Ligands: MMA.7, CA.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.9: 7 residues within 4Å: Chain C: N.22, D.102, N.104, D.105 Chain D: G.115 Ligands: MMA.7, CA.8 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.11: 7 residues within 4Å: Chain C: G.115 Chain D: N.22, D.102, N.104, D.105 Ligands: MMA.10, CA.12 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.12: 6 residues within 4Å: Chain D: E.96, D.100, D.102, D.105 Ligands: MMA.10, CA.11 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

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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