SMTL ID : 1gkb.1

CONCANAVALIN A, NEW CRYSTAL FORM

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.56 Å

Oligo State

homo-tetramer

Ligands

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

MN.1: 4 residues within 4Å: Chain A: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.8, A:D.10, A:D.19, A:H.24, H2O.14, H2O.14 MN.4: 4 residues within 4Å: Chain B: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.8, B:D.10, B:D.19, B:H.24, H2O.27, H2O.27 MN.7: 4 residues within 4Å: Chain C: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:E.8, C:D.10, C:D.19, C:H.24, H2O.41, H2O.41 MN.10: 4 residues within 4Å: Chain D: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain D, 2 Ligand-Water interactions Metal complexes: D:E.8, D:D.10, D:D.19, D:H.24, H2O.53, H2O.53

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.13, H2O.14 CA.5: 4 residues within 4Å: Chain B: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.10, B:Y.12, B:D.19, H2O.26, H2O.27 CA.8: 4 residues within 4Å: Chain C: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:D.10, C:Y.12, C:D.19, H2O.39, H2O.40 CA.11: 4 residues within 4Å: Chain D: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain D, 2 Ligand-Water interactions Metal complexes: D:D.10, D:Y.12, D:D.19, H2O.52, H2O.53

4 x MG: MAGNESIUM ION(Non-covalent)

MG.3: 2 residues within 4Å: Chain A: L.107, N.131 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:L.107, A:N.131, H2O.9, H2O.11, H2O.22 MG.6: 2 residues within 4Å: Chain B: L.107, N.131 5 PLIP interactions: 2 interactions with chain B, 3 Ligand-Water interactions Metal complexes: B:L.107, B:N.131, H2O.9, H2O.9, H2O.24 MG.9: 2 residues within 4Å: Chain C: L.107, N.131 5 PLIP interactions: 2 interactions with chain C, 3 Ligand-Water interactions Metal complexes: C:L.107, C:N.131, H2O.36, H2O.37, H2O.48 MG.12: 2 residues within 4Å: Chain D: L.107, N.131 5 PLIP interactions: 2 interactions with chain D, 3 Ligand-Water interactions Metal complexes: D:L.107, D:N.131, H2O.35, H2O.36, H2O.50

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kantardjieff, K. et al., Concanavalin a in a Dimeric Crystal Form: Revisiting Structural Accuracy and Molecular Flexibility. Acta Crystallogr.,Sect.D (2002)

Release Date

2001-08-20

Peptides

CONCANAVALIN A: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
A

D
B

CONCANAVALIN A

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