SMTL ID : 3mez.1

X-ray structural analysis of a mannose specific lectin from dutch crocus (crocus vernus)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.94 Å

Oligo State

hetero-2-2-mer

Ligands

3 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 5 residues within 4Å: Chain A: G.92, P.93, D.94 Chain B: I.2, F.10 7 PLIP interactions: 3 interactions with chain B, 4 interactions with chain A Water bridges: B:D.90, B:D.90, B:D.90, A:G.92, A:Y.100 Hydrogen bonds: A:D.94, A:D.94 GOL.2: 1 residues within 4Å: Chain A: D.29 3 PLIP interactions: 3 interactions with chain A Water bridges: A:Q.27, A:Q.27, A:D.29 GOL.8: 5 residues within 4Å: Chain C: G.92, P.93, D.94 Chain D: I.2, F.10 6 PLIP interactions: 5 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:D.94 Water bridges: C:T.98, C:T.98, C:Y.100, C:Y.100, D:D.90

8 x FMT: FORMIC ACID(Non-functional Binders)

FMT.3: 2 residues within 4Å: Chain A: E.20 Chain B: P.3 3 PLIP interactions: 1 interactions with chain A, 2 interactions with chain B Water bridges: A:E.20, B:R.4, B:R.4 FMT.4: 1 residues within 4Å: Chain A: E.20 No protein-ligand interaction detected (PLIP) FMT.5: 6 residues within 4Å: Chain B: G.56, Q.57, H.58, C.59, D.73, D.74 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Q.57, B:H.58, B:D.74 FMT.6: 5 residues within 4Å: Chain A: D.1, V.4, L.6 Chain B: Q.96, I.97 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain B Water bridges: A:V.4 Hydrogen bonds: B:I.97 FMT.7: 5 residues within 4Å: Chain A: N.86 Chain B: Q.96, N.98, Q.100, Y.104 3 PLIP interactions: 1 interactions with chain A, 2 interactions with chain B Hydrogen bonds: A:N.86, B:N.98, B:Y.104 FMT.9: 3 residues within 4Å: Chain C: H.65, S.66, S.69 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:S.66, C:S.69 Water bridges: C:H.65 FMT.10: 6 residues within 4Å: Chain D: G.56, Q.57, H.58, D.73, D.74, R.75 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:Q.57, D:H.58, D:D.74, D:R.75 FMT.11: 2 residues within 4Å: Chain D: H.65, D.90 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:H.65

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Akrem, A., X-ray structural analysis of a mannose specific lectin from dutch crocus (crocus vernus). To be Published

Release Date

2011-06-22

Peptides

Mannose-specific lectin 3 chain 1: AC
Mannose-specific lectin 3 chain 2: BD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

B
B

D
D

Mannose-specific lectin 3 chain 1

Mannose-specific lectin 3 chain 2