SMTL ID : 1x99.1

X-ray crystal structure of Xerocomus chrysenteron lectin XCL at 1.4 Angstroms resolution, mutated at Q46M, V54M, L58M

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

homo-tetramer

Ligands

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

SO4.1: 3 residues within 4Å: Chain A: H.2, M.3, Y.76 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:H.2 SO4.2: 2 residues within 4Å: Chain B: K.77, R.78 2 PLIP interactions: 2 interactions with chain B Salt bridges: B:K.77, B:R.78 SO4.3: 2 residues within 4Å: Chain A: K.77, R.78 2 PLIP interactions: 2 interactions with chain A Salt bridges: A:K.77, A:R.78 SO4.4: 3 residues within 4Å: Chain A: H.74, R.109, E.110 5 PLIP interactions: 5 interactions with chain A Water bridges: A:R.109, A:R.109, A:R.109 Salt bridges: A:H.74, A:R.109 SO4.5: 3 residues within 4Å: Chain B: G.19, T.62, K.63 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:T.62, B:T.62 Salt bridges: B:K.63 SO4.9: 3 residues within 4Å: Chain C: H.2, M.3, Y.76 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:Y.76 Salt bridges: C:H.2 SO4.10: 2 residues within 4Å: Chain D: K.77, R.78 2 PLIP interactions: 2 interactions with chain D Salt bridges: D:K.77, D:R.78 SO4.11: 2 residues within 4Å: Chain C: K.77, R.78 2 PLIP interactions: 2 interactions with chain C Salt bridges: C:K.77, C:R.78 SO4.12: 3 residues within 4Å: Chain C: H.74, R.109, E.110 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:E.110 Water bridges: C:D.106, C:R.109, C:R.109 Salt bridges: C:H.74, C:R.109 SO4.13: 3 residues within 4Å: Chain D: G.19, T.62, K.63 3 PLIP interactions: 3 interactions with chain D Hydrogen bonds: D:T.62, D:T.62 Salt bridges: D:K.63

6 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.6: 5 residues within 4Å: Chain A: S.4, Y.5, S.6, T.47, N.136 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.4 Water bridges: A:S.4, A:T.47 EDO.7: 3 residues within 4Å: Chain A: N.102, D.106, E.110 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:E.110 Water bridges: A:N.102, A:D.106, A:Y.107, A:R.109 EDO.8: 3 residues within 4Å: Chain A: S.51, G.52, N.75 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.51, A:N.75 Water bridges: A:H.74, A:N.75 EDO.14: 5 residues within 4Å: Chain C: S.4, Y.5, S.6, T.47, N.136 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:S.4 Water bridges: C:S.4, C:S.6 EDO.15: 3 residues within 4Å: Chain C: N.102, D.106, E.110 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:E.110 Water bridges: C:D.106, C:D.106, C:Y.107, C:R.109 EDO.16: 3 residues within 4Å: Chain C: S.51, G.52, N.75 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:S.51, C:N.75 Water bridges: C:N.75

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Birck, C. et al., A New Lectin Family with Structure Similarity to Actinoporins Revealed by the Crystal Structure of Xerocomus chrysenteron Lectin XCL. J.Mol.Biol. (2004)

Release Date

2004-12-14

Peptides

lectin: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
A

D
B

lectin