SMTL ID : 1oko.1

Crystal structure of Pseudomonas Aeruginosa Lectin 1 complexed with galactose at 1.6 A resolution

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

homo-tetramer

Ligands

4 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: Y.36, D.100, T.104, N.107, N.108 Ligands: GAL.2 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:Y.36, A:D.100, A:T.104 CA.6: 7 residues within 4Å: Chain B: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.7, GAL.8 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:Y.36, B:D.100, B:T.104 CA.10: 7 residues within 4Å: Chain C: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.11, GAL.12 3 PLIP interactions: 3 interactions with chain C Metal complexes: C:Y.36, C:D.100, C:T.104 CA.13: 7 residues within 4Å: Chain D: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.14, GAL.15 3 PLIP interactions: 3 interactions with chain D Metal complexes: D:Y.36, D:D.100, D:T.104

4 x GAL: beta-D-galactopyranose(Non-covalent)

GAL.2: 9 residues within 4Å: Chain A: Y.36, H.50, Q.53, C.62, D.100, V.101, T.104, N.107 Ligands: CA.1 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:T.104, A:T.104, A:N.107 Water bridges: A:H.50, A:T.104, A:N.107 Salt bridges: A:H.50 GAL.8: 9 residues within 4Å: Chain B: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.6, GLA.7 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:D.100, B:T.104, B:N.107 Water bridges: B:H.50, B:P.51, B:T.104, B:N.107 Salt bridges: B:H.50 GAL.12: 9 residues within 4Å: Chain C: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.10, GLA.11 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:T.104, C:T.104, C:N.107 Water bridges: C:H.50, C:P.51 Salt bridges: C:H.50 GAL.15: 9 residues within 4Å: Chain D: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.13, GLA.14 6 PLIP interactions: 6 interactions with chain D Hydrogen bonds: D:T.104, D:T.104, D:N.107 Water bridges: D:Y.36, D:H.50 Salt bridges: D:H.50

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

SO4.3: 4 residues within 4Å: Chain A: S.72, G.73, T.74, I.75 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:G.73 Water bridges: A:T.74, A:T.74 SO4.4: 2 residues within 4Å: Chain A: I.56, H.58 6 PLIP interactions: 6 interactions with chain A Water bridges: A:I.56, A:H.58, A:T.74, A:T.74, A:T.74 Salt bridges: A:H.58 SO4.9: 2 residues within 4Å: Chain A: K.41 Chain B: R.48 3 PLIP interactions: 1 interactions with chain B, 2 interactions with chain A Salt bridges: B:R.48, A:K.41 Water bridges: A:K.41

1 x MPD: (4S)-2-METHYL-2,4-PENTANEDIOL(Non-functional Binders)

MPD.5: 3 residues within 4Å: Chain A: P.87, N.88, N.89 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:P.87, A:N.89 Hydrogen bonds: A:N.88

3 x GLA: alpha-D-galactopyranose(Non-covalent)

GLA.7: 9 residues within 4Å: Chain B: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.6, GAL.8 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:D.100, B:T.104, B:N.107 Water bridges: B:H.50, B:P.51, B:T.104, B:N.107 Salt bridges: B:H.50 GLA.11: 9 residues within 4Å: Chain C: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.10, GAL.12 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:T.104, C:T.104, C:N.107 Water bridges: C:H.50, C:P.51 Salt bridges: C:H.50 GLA.14: 9 residues within 4Å: Chain D: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.13, GAL.15 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:T.104, D:T.104, D:N.107 Water bridges: D:H.50 Salt bridges: D:H.50

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Cioci, G. et al., Structural Basis of Calcium and Galactose Recognition by the Lectin Pa-Il of Pseudomonas Aeruginosa. FEBS Lett. (2003)

Release Date

2003-12-04

Peptides

PA-I GALACTOPHILIC LECTIN: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

PA-I GALACTOPHILIC LECTIN

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