SMTL ID : 5ajo.1

Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.48 Å

Oligo State

hetero-1-1-mer

Ligands

2 x A2G: 2-acetamido-2-deoxy-alpha-D-galactopyranose(Post Translational Modification)

A2G.1: 12 residues within 4Å: Chain A: D.458, L.460, G.461, Y.471, H.474, G.478, N.479, Q.480 Chain B: S.12, T.14, S.15, A.16 9 PLIP interactions: 7 interactions with chain A, 2 interactions with chain B Hydrogen bonds: A:D.458, A:L.460, A:H.474, A:N.479, A:N.479, A:Q.480, B:S.12, B:S.12 Water bridges: A:Y.471 A2G.2: 14 residues within 4Å: Chain A: V.279, F.280, A.307, G.332, G.333, E.334, N.335, Y.367, F.377 Chain B: T.3, T.4, P.5, S.6, P.7 9 PLIP interactions: 8 interactions with chain A, 1 interactions with chain B Hydrophobic interactions: A:A.307 Hydrogen bonds: A:F.280, A:A.307, A:G.333, A:E.334, A:N.335, A:N.335, B:T.4 Water bridges: A:T.381

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

SO4.3: 2 residues within 4Å: Chain A: P.98, V.107 Ligand excluded by PLIP SO4.4: 4 residues within 4Å: Chain A: D.244, R.247, K.302, E.350 Ligand excluded by PLIP SO4.5: 3 residues within 4Å: Chain A: E.243, D.244, R.245 Ligand excluded by PLIP SO4.6: 1 residues within 4Å: Chain A: N.537 Ligand excluded by PLIP SO4.7: 3 residues within 4Å: Chain A: I.525, E.526, G.527 Ligand excluded by PLIP SO4.8: 1 residues within 4Å: Chain A: K.546 Ligand excluded by PLIP SO4.9: 2 residues within 4Å: Chain A: R.438, M.493 Ligand excluded by PLIP SO4.10: 6 residues within 4Å: Chain A: N.277, T.368, F.369, Q.451, N.475, T.566 Ligand excluded by PLIP SO4.11: 2 residues within 4Å: Chain A: P.119, D.120 Ligand excluded by PLIP SO4.12: 3 residues within 4Å: Chain A: G.409, N.410 Ligands: SO4.30 Ligand excluded by PLIP SO4.13: 4 residues within 4Å: Chain A: H.123, A.268, R.293, P.297 Ligand excluded by PLIP SO4.14: 1 residues within 4Å: Chain A: R.197 Ligand excluded by PLIP SO4.15: 2 residues within 4Å: Chain A: E.191, K.192 Ligand excluded by PLIP SO4.16: 2 residues within 4Å: Chain A: R.201, W.331 Ligand excluded by PLIP SO4.17: 1 residues within 4Å: Chain A: R.77 Ligand excluded by PLIP SO4.18: 3 residues within 4Å: Chain A: C.513, R.514, E.515 Ligand excluded by PLIP SO4.19: 1 residues within 4Å: Chain A: R.543 Ligand excluded by PLIP SO4.20: 1 residues within 4Å: Chain A: R.93 Ligand excluded by PLIP SO4.21: 1 residues within 4Å: Chain A: R.532 Ligand excluded by PLIP SO4.22: 2 residues within 4Å: Chain A: A.117, K.161 Ligand excluded by PLIP SO4.23: 4 residues within 4Å: Chain A: R.382, R.404, V.406, Y.408 Ligand excluded by PLIP SO4.24: 4 residues within 4Å: Chain A: R.197, N.198, D.199, R.210 Ligand excluded by PLIP SO4.25: 3 residues within 4Å: Chain A: V.500, D.501, R.502 Ligand excluded by PLIP SO4.26: 4 residues within 4Å: Chain A: P.401, N.528, K.564, N.568 Ligand excluded by PLIP SO4.27: 4 residues within 4Å: Chain A: Y.284, P.287, R.290 Chain B: S.15 Ligand excluded by PLIP SO4.28: 4 residues within 4Å: Chain A: F.463, A.464, D.494, L.495 Ligand excluded by PLIP SO4.29: 5 residues within 4Å: Chain A: Y.324, D.325, M.326, S.413, R.414 Ligand excluded by PLIP SO4.30: 4 residues within 4Å: Chain A: P.407, Y.408, G.409 Ligands: SO4.12 Ligand excluded by PLIP SO4.31: 2 residues within 4Å: Chain A: R.240, P.300 Ligand excluded by PLIP SO4.32: 3 residues within 4Å: Chain A: D.516, D.517, S.518 Ligand excluded by PLIP SO4.33: 2 residues within 4Å: Chain A: V.330, W.331 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Lira-Navarrete, E. et al., Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun. (2015)

Release Date

2015-03-11

Peptides

POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2: A
MUCIN: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2

MUCIN

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