- Coordinates
- PDB Format
- Method
- X-RAY DIFFRACTION 1.60 Å
- Oligo State
- hetero-4-4-mer
- Ligands
- 4 x ZZ1: 4-METHYL-2H-CHROMEN-2-ONE(Non-covalent)
- 4 x GLA: alpha-D-galactopyranose(Non-covalent)
GLA.2: 8 residues within 4Å:- Chain A: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125
- Ligands: ZZ1.1
10 PLIP interactions:10 interactions with chain A- Hydrogen bonds: A:G.1, A:G.1, A:G.121, A:Y.122, A:W.123, A:W.123
- Water bridges: A:G.1, A:G.1, A:Y.78, A:Y.78
GLA.5: 9 residues within 4Å:- Chain C: G.1, F.47, Y.78, V.80, G.121, Y.122, W.123, D.125
- Ligands: ZZ1.4
10 PLIP interactions:10 interactions with chain C- Hydrogen bonds: C:G.1, C:G.1, C:G.121, C:Y.122, C:W.123, C:W.123
- Water bridges: C:G.1, C:G.1, C:Y.78, C:Y.78
GLA.7: 8 residues within 4Å:- Chain E: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125
- Ligands: ZZ1.6
7 PLIP interactions:7 interactions with chain E- Hydrogen bonds: E:G.1, E:G.1, E:G.121, E:Y.122, E:W.123, E:W.123
- Water bridges: E:Y.78
GLA.17: 9 residues within 4Å:- Chain G: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125
- Ligands: ZZ1.16, IPA.19
7 PLIP interactions:7 interactions with chain G- Hydrogen bonds: G:G.1, G:G.1, G:G.121, G:Y.122, G:W.123, G:W.123
- Water bridges: G:Y.78
- 11 x IPA: ISOPROPYL ALCOHOL(Non-functional Binders)
IPA.3: 5 residues within 4Å:- Chain A: Y.64, N.110, G.111, L.112
- Chain F: S.3
6 PLIP interactions:4 interactions with chain A, 2 interactions with chain F- Hydrophobic interactions: A:Y.64, A:L.112
- Water bridges: A:N.110, A:G.111, F:S.3
- Hydrogen bonds: F:S.3
IPA.10: 6 residues within 4Å:- Chain B: Q.2, S.3
- Chain E: Y.64, N.110, G.111, L.112
6 PLIP interactions:4 interactions with chain E, 2 interactions with chain B- Hydrophobic interactions: E:Y.64, E:L.112
- Water bridges: E:Y.64, E:G.111, B:S.3
- Hydrogen bonds: B:S.3
IPA.11: 3 residues within 4Å:- Chain E: T.85, P.95
- Ligands: EDO.9
1 PLIP interactions:1 interactions with chain E- Hydrogen bonds: E:T.85
IPA.12: 1 residues within 4Å:- Chain A: Y.39
2 PLIP interactions:2 interactions with chain E- Hydrogen bonds: E:S.37, E:S.37
IPA.13: 5 residues within 4Å:- Chain E: G.73, N.74, R.82, S.100, G.101
3 PLIP interactions:3 interactions with chain E- Hydrophobic interactions: E:N.74
- Hydrogen bonds: E:N.74, E:R.82
IPA.14: 4 residues within 4Å:- Chain F: P.13, G.15, A.16, K.17
No protein-ligand interaction detected (PLIP)IPA.15: 5 residues within 4Å:- Chain E: Y.130
- Chain F: Q.7, T.8, I.10
- Chain G: N.110
2 PLIP interactions:1 interactions with chain F, 1 interactions with chain E- Hydrophobic interactions: F:Q.7, E:Y.130
IPA.18: 5 residues within 4Å:- Chain D: S.3
- Chain G: Y.64, N.110, G.111, L.112
6 PLIP interactions:6 interactions with chain G- Hydrophobic interactions: G:Y.64, G:L.112
- Hydrogen bonds: G:N.110, G:G.111
- Water bridges: G:Y.64, G:E.109
IPA.19: 5 residues within 4Å:- Chain G: G.1, S.119, D.125, Y.126
- Ligands: GLA.17
5 PLIP interactions:5 interactions with chain G- Hydrophobic interactions: G:D.125, G:Y.126
- Hydrogen bonds: G:G.1, G:G.1, G:S.119
IPA.20: 3 residues within 4Å:- Chain C: D.5, G.7
- Chain G: N.35
1 PLIP interactions:1 interactions with chain C- Hydrogen bonds: C:D.5
IPA.21: 0 residues within 4Å:- (No contacts)
No protein-ligand interaction detected (PLIP)- 2 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)
EDO.8: 8 residues within 4Å:- Chain A: A.8, F.9, T.10, L.34, N.35
- Chain E: A.8, F.9, L.34
1 PLIP interactions:1 interactions with chain A- Hydrogen bonds: A:T.10
EDO.9: 4 residues within 4Å:- Chain E: E.67, S.69, N.105
- Ligands: IPA.11
2 PLIP interactions:2 interactions with chain E- Hydrogen bonds: E:E.67
- Water bridges: E:T.85
- Links
- RCSB PDBe PDBj PDBsum CATH PLIP
- Citation
- Abhinav, K.V. et al., Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D (2015)
- Release Date
- 2015-02-18
- Peptides
- Agglutinin alpha chain: ACEG
Agglutinin beta-3 chain: BDFH - SMTL:PDB
- SMTL Chain Id:
PDB Chain Id:A
AC
CE
EG
GB
BD
DF
FH
H
- Coordinates
- PDB Format
- Method
- X-RAY DIFFRACTION 1.60 Å
- Oligo State
- hetero-4-4-mer
- Ligands
- 4 x ZZ1: 4-METHYL-2H-CHROMEN-2-ONE(Non-covalent)
- 4 x GLA: alpha-D-galactopyranose(Non-covalent)
- 11 x IPA: ISOPROPYL ALCOHOL(Non-functional Binders)
- 2 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)
- Links
- RCSB PDBe PDBj PDBsum CATH PLIP
- Citation
- Abhinav, K.V. et al., Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D (2015)
- Release Date
- 2015-02-18
- Peptides
- Agglutinin alpha chain: ACEG
Agglutinin beta-3 chain: BDFH - SMTL:PDB
- SMTL Chain Id:
PDB Chain Id:A
AC
CE
EG
GB
BD
DF
FH
H