SMTL ID : 4b4p.1

Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF.

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

homo-dimer

Ligands

13 x BR: BROMIDE ION(Non-covalent)

BR.1: 6 residues within 4Å: Chain A: G.94, T.95, A.96 Chain B: G.94, T.95, A.96 Ligand excluded by PLIP BR.2: 6 residues within 4Å: Chain A: Q.31, R.70, V.71, S.72, E.108, S.110 Ligand excluded by PLIP BR.3: 5 residues within 4Å: Chain A: P.25, Q.31, R.70, W.85, S.110 Ligand excluded by PLIP BR.4: 5 residues within 4Å: Chain A: T.48, C.49, Q.50, S.130, S.132 Ligand excluded by PLIP BR.5: 3 residues within 4Å: Chain A: A.7, T.22, W.30 Ligand excluded by PLIP BR.6: 2 residues within 4Å: Chain A: K.100, K.101 Ligand excluded by PLIP BR.8: 1 residues within 4Å: Chain A: G.60 Ligand excluded by PLIP BR.9: 5 residues within 4Å: Chain B: R.70, V.71, S.72, E.108, S.110 Ligand excluded by PLIP BR.10: 5 residues within 4Å: Chain B: S.6, A.7, T.22, M.24, W.30 Ligand excluded by PLIP BR.11: 5 residues within 4Å: Chain B: T.48, C.49, Q.50, S.130, S.132 Ligand excluded by PLIP BR.12: 5 residues within 4Å: Chain B: P.25, Q.31, R.70, W.85, S.110 Ligand excluded by PLIP BR.13: 4 residues within 4Å: Chain B: Q.50, A.51, Q.87, Q.88 Ligand excluded by PLIP BR.14: 6 residues within 4Å: Chain A: T.46, Q.90 Chain B: C.97, G.98, N.99, K.100 Ligand excluded by PLIP

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

SO4.7: 8 residues within 4Å: Chain A: H.75, S.77, S.79, C.97, K.100 Chain B: Q.90, V.91, G.92 8 PLIP interactions: 7 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:S.77, A:S.79, B:G.92 Water bridges: A:H.75, A:S.77, A:S.79 Salt bridges: A:H.75, A:K.100 SO4.15: 7 residues within 4Å: Chain A: V.91, G.92 Chain B: H.75, S.77, S.79, C.97, K.100 8 PLIP interactions: 7 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:S.77, B:S.79, B:S.79, B:C.97, A:G.92 Water bridges: B:S.77 Salt bridges: B:H.75, B:K.100

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Moonens, K. et al., Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf. Mol.Microbiol. (2012)

Release Date

2012-08-15

Peptides

F18 FIMBRIAL ADHESIN AC: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

F18 FIMBRIAL ADHESIN AC

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