SMTL ID : 1jui.1 (1 other biounit)

CONCANAVALIN A-CARBOHYDRATE MIMICKING 10-MER PEPTIDE COMPLEX

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.75 Å

Oligo State

hetero-oligomer

Ligands

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

MN.1: 5 residues within 4Å: Chain A: E.8, D.10, D.19, H.24, S.34 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.8, A:D.10, A:D.19, A:H.24, H2O.2 MN.3: 5 residues within 4Å: Chain B: E.8, D.10, D.19, H.24, S.34 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.8, B:D.10, B:D.19, B:H.24, H2O.3 MN.5: 5 residues within 4Å: Chain E: E.8, D.10, D.19, H.24, S.34 5 PLIP interactions: 4 interactions with chain E, 1 Ligand-Water interactions Metal complexes: E:E.8, E:D.10, E:D.19, E:H.24, H2O.7 MN.7: 5 residues within 4Å: Chain F: E.8, D.10, D.19, H.24, S.34 5 PLIP interactions: 4 interactions with chain F, 1 Ligand-Water interactions Metal complexes: F:E.8, F:D.10, F:D.19, F:H.24, H2O.9

4 x CA: CALCIUM ION(Non-covalent)

CA.2: 4 residues within 4Å: Chain A: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.10, A:Y.12, A:D.19, H2O.1, H2O.2 CA.4: 4 residues within 4Å: Chain B: D.10, Y.12, N.14, D.19 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.10, B:D.10, B:Y.12, B:D.19 CA.6: 4 residues within 4Å: Chain E: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain E, 2 Ligand-Water interactions Metal complexes: E:D.10, E:Y.12, E:D.19, H2O.6, H2O.7 CA.8: 4 residues within 4Å: Chain F: D.10, Y.12, N.14, D.19 4 PLIP interactions: 4 interactions with chain F Metal complexes: F:D.10, F:D.10, F:Y.12, F:D.19

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Jain, D. et al., Plasticity in protein-peptide recognition: crystal structures of two different peptides bound to concanavalin A. Biophys.J. (2001)

Release Date

2002-08-24

Peptides

Concanavalin-Br: ABEF
10-mer Peptide: CDGH

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

E
A

F
B

C
P

D
Q

G
P

H
Q

Concanavalin-Br

10-mer Peptide

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