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

Crystal structure of hcgp-39 in complex with chitin octamer

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

monomer

Ligands

1 x NAG- NAG- NAG- NAG- NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-NAG-NAG-NAG-NAG.1: 24 residues within 4Å: Chain A: Y.6, W.10, Y.13, F.37, W.48, E.49, G.77, W.78, N.79, A.117, L.119, Y.120, A.156, G.160, T.163, M.183, Y.185, D.186, F.187, F.240, R.242, W.331, L.335 Ligands: GOL.4 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:E.49

1 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.2: 6 residues within 4Å: Chain A: N.39, I.40, S.41, N.42, W.48, R.84 No protein-ligand interaction detected (PLIP)

5 x GOL: GLYCEROL(Non-functional Binders)

GOL.3: 5 residues within 4Å: Chain A: A.190, G.193, I.257, S.258, G.259 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:A.190, A:I.257 GOL.4: 2 residues within 4Å: Chain A: W.191 Ligands: NAG-NAG-NAG-NAG-NAG-NAG.1 No protein-ligand interaction detected (PLIP) GOL.5: 3 residues within 4Å: Chain A: F.21, D.23, M.58 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:D.23 GOL.6: 2 residues within 4Å: Chain A: Y.13, W.50 No protein-ligand interaction detected (PLIP) GOL.10: 2 residues within 4Å: Chain A: Q.294, E.311 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Q.294

3 x SO4: SULFATE ION(Non-functional Binders)

SO4.7: 2 residues within 4Å: Chain A: R.212 Ligands: SO4.8 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:R.212 SO4.8: 4 residues within 4Å: Chain A: K.161, R.212, Y.218 Ligands: SO4.7 2 PLIP interactions: 2 interactions with chain A Salt bridges: A:K.161, A:R.212 SO4.9: 2 residues within 4Å: Chain A: R.96, K.100 2 PLIP interactions: 2 interactions with chain A Salt bridges: A:R.96, A:K.100

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Houston, D.R. et al., Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes. J.Biol.Chem. (2003)

Release Date

2003-03-11

Peptides

CHITINASE-3 LIKE PROTEIN 1: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

CHITINASE-3 LIKE PROTEIN 1

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