SMTL ID : 6hos.1 (1 other biounit)

Structure of the KpFlo2 adhesin domain in complex with glycerol

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.15 Å

Oligo State

monomer

Ligands

1 x CA: CALCIUM ION(Non-covalent)

CA.1: 7 residues within 4Å: Chain A: D.135, D.136, N.203, E.205, R.206, H.207 Ligands: GOL.2 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.135, A:D.136, A:E.205, A:H.207

4 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 7 residues within 4Å: Chain A: D.135, D.136, F.170, E.205, R.206, H.207 Ligands: CA.1 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.136, A:H.207 GOL.3: 5 residues within 4Å: Chain A: Y.43, N.47, T.81, Q.231, F.232 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.47, A:T.81, A:Q.231 GOL.4: 5 residues within 4Å: Chain A: G.87, F.88, S.89, N.211 Ligands: P33.7 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.223, A:T.223 GOL.5: 8 residues within 4Å: Chain A: Y.118, C.151, N.152, E.153, F.232, G.233, A.234, L.235 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.118, A:E.153, A:F.232

2 x P33: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL(Non-covalent)

P33.6: 4 residues within 4Å: Chain A: N.154, S.155, I.156, S.157 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:I.156, A:S.157 Water bridges: A:N.158 P33.7: 13 residues within 4Å: Chain A: D.85, G.87, F.88, S.89, I.90, T.92, V.95, T.97, T.98, T.99, L.100, Y.101 Ligands: GOL.4 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:S.89, A:S.89, A:T.92, A:T.97, A:T.98, A:Y.101 Water bridges: A:G.102

2 x MG: MAGNESIUM ION(Non-covalent)

MG.8: 1 residues within 4Å: Chain A: E.122 1 PLIP interactions: 1 interactions with chain A Metal complexes: A:E.122 MG.9: 2 residues within 4Å: Chain A: D.44, H.226 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:D.44, A:H.226, H2O.1, H2O.2, H2O.3

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kock, M. et al., Structural and Functional Characterization of PA14/Flo5-Like Adhesins FromKomagataella pastoris. Front Microbiol (2018)

Release Date

2018-10-24

Peptides

BA75_04148T0: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

BA75_04148T0

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