SMTL ID : 2jdp.1

Mutant (S23A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.30 Å

Oligo State

homo-tetramer

Ligands

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

MFU.1: 11 residues within 4Å: Chain A: N.22, S.23, A.24, E.96, D.97, D.100, D.102, D.105 Chain B: G.115 Ligands: CA.2, CA.3 5 PLIP interactions: 4 interactions with chain A, 1 interactions with chain B Hydrophobic interactions: A:A.24 Hydrogen bonds: A:A.24, A:D.97, A:D.102, B:G.115 MFU.4: 11 residues within 4Å: Chain B: N.22, S.23, A.24, T.46, E.96, D.97, D.100, D.102, D.105 Ligands: CA.5, CA.6 4 PLIP interactions: 4 interactions with chain B Hydrophobic interactions: B:A.24, B:T.46 Hydrogen bonds: B:A.24, B:D.97 MFU.7: 11 residues within 4Å: Chain C: N.22, S.23, A.24, E.96, D.97, G.98, D.100, D.102, D.105 Ligands: CA.8, CA.9 5 PLIP interactions: 5 interactions with chain C Hydrophobic interactions: C:A.24 Hydrogen bonds: C:A.24, C:D.97, C:D.105, C:D.105 MFU.10: 12 residues within 4Å: Chain C: G.115 Chain D: N.22, S.23, A.24, T.46, E.96, D.97, D.100, D.102, D.105 Ligands: CA.11, CA.12 5 PLIP interactions: 4 interactions with chain D, 1 interactions with chain C Hydrophobic interactions: D:A.24, D:T.46 Hydrogen bonds: D:A.24, D:D.97, C:G.115

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