SMTL ID : 1hkd.1

Structure of pea lectin in complex with alpha-methyl-D-glucopyranoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.09 Å

Oligo State

hetero-2-2-mer

Ligands

2 x CA: CALCIUM ION(Non-covalent)

CA.1: 4 residues within 4Å: Chain A: D.121, F.123, N.125, D.129 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.121, A:F.123, A:D.129, H2O.3, H2O.3 CA.4: 4 residues within 4Å: Chain C: D.121, F.123, N.125, D.129 5 PLIP interactions: 4 interactions with chain C, 1 Ligand-Water interactions Metal complexes: C:D.121, C:D.121, C:F.123, C:D.129, H2O.9

2 x MN: MANGANESE (II) ION(Non-covalent)

MN.2: 4 residues within 4Å: Chain A: E.119, D.121, D.129, H.136 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.119, A:D.121, A:D.129, A:H.136, H2O.5, H2O.5 MN.5: 4 residues within 4Å: Chain C: E.119, D.121, D.129, H.136 6 PLIP interactions: 4 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:E.119, C:D.121, C:D.129, C:H.136, H2O.10, H2O.10

2 x GYP: methyl alpha-D-glucopyranoside(Non-covalent)

GYP.3: 9 residues within 4Å: Chain A: A.80, D.81, G.98, G.99, F.123, N.125 Chain B: G.29, A.30, E.31 5 PLIP interactions: 3 interactions with chain B, 2 interactions with chain A Hydrogen bonds: B:A.30, B:E.31, B:E.31, A:G.99, A:N.125 GYP.6: 9 residues within 4Å: Chain C: A.80, D.81, G.98, G.99, F.123, N.125 Chain D: G.29, A.30, E.31 5 PLIP interactions: 3 interactions with chain D, 2 interactions with chain C Hydrogen bonds: D:A.30, D:E.31, D:E.31, C:G.99, C:N.125

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Shevtsov, M.B. et al., Structure of Pea Lectin in Complex with Alpha-Methyl-D-Glucopyranoside. To be Published

Release Date

2003-03-18

Peptides

PEA LECTIN ALPHA CHAIN: AC
PEA LECTIN BETA CHAIN: BD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

B
B

D
D

PEA LECTIN ALPHA CHAIN

PEA LECTIN BETA CHAIN

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