Structure of PDB 5ik5 Chain A Binding Site BS01

Receptor Information

>5ik5 Chain A (length=379) Species: 10090 (Mus musculus)

PTMVHGPCVAESEPALLTGSKQFGLSRNSHIAIAFDDTKVKNRLTIELEV
RTEAESGLLFYMARINHADFATVQLRNGFPYFSYDLGSGDTSTMIPTKIN
DGQWHKIKIVRVKQEGILYVDDASSQTISPKKADILDVVGILYVGGLPIN
YTTRRIGPVTYSLDGCVRNLHMEQAPVDLDQPTSSFHVGTCFANAESGTY
FDGTGFAKAVGGFKVGLDLLVEFEFRTTRPTGVLLGVSSQKMDGMGIEMI
DEKLMFHVDNGAGRFTAIYDAEIPGHMCNGQWHKVTAKKIKNRLELVVDG
NQVDAQSPNSASTSADTNDPVFVGGFPGGLNQFGLTTNIRFRGCIRSLKL
TKGTGKPLEVNFAKALELRGVQPVSCPTT

Ligand information

• Ligand ID: BDP
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-QIUUJYRFSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.7.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.370: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  ACDLabs 12.01: O=C(O)C1OC(O)C(O)C(O)C1O
  CACTVS 3.370: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-glucopyranuronic acid;
  beta-D-glucuronic acid;
  D-glucuronic acid;
  glucuronic acid
• ChEMBL: CHEMBL1159524
• DrugBank: DB03156
• ZINC: ZINC000004097543
• PDB chain: 5ik5 Chain D Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ik5 Structural basis of laminin binding to the LARGE glycans on dystroglycan.
• Resolution: 1.39 Å
• Binding residue (original residue number in PDB): A2872 D2873 I2874
• Binding residue (residue number reindexed from 1): A133 D134 I135
• Annotation score: 4

External links

• PDB: RCSB:5ik5, PDBe:5ik5, PDBj:5ik5
• PDBsum: 5ik5
• PubMed: 27526028
• UniProt: Q60675|LAMA2_MOUSE Laminin subunit alpha-2 (Gene Name=Lama2)