Structure of PDB 5kqv Chain F Binding Site BS02

Receptor Information

>5kqv Chain F (length=592) Species: 9606 (Homo sapiens)

HLYPGEVCPGMDIRNNLTRLHELENCSVIEGHLQILLMFKTRPEDFRDLS
FPKLIMITDYLLLFRVYGLESLKDLFPNLTVIRGSRLFFNYALVIFEMVH
LKELGLYNLMNITRGSVRIEKNNELCYLATIDWSRILDSVEDNHIVLNKD
DNEECGDICPGTAKGKTNCPATVINGQFVERCWTHSHCQKVCPTICKSHG
CTAEGLCCHSECLGNCSQPDDPTKCVACRNFYLDGRCVETCPPPYYHFQD
WRCVNFSFCQDLHHKCKNSRRQGCHQYVIHNNKCIPECPSGYTMNSSNLL
CTPCLGPCPKVCHLLEGEKTIDSVTSAQELRGCTVINGSLIINIRGGNNL
AAELEANLGLIEEISGYLKIRRSYALVSLSFFRKLRLIRGETLEIGNYSF
YALDNQNLRQLWDWSKHNLTITQGKLFFHYNPKLCLSEIHKMEEVSGTNG
DQASCENELLKFSYIRTSFDKILLRWEPYWPPDFRDLLGFMLFYKEAPYQ
NVTEFDGQDACGSNSWTVVDIDPPLRSNDPKSQNHPGWLMRGLKPWTQYA
IFVKTLVTFSDERRTYGAKSDIIYVQTDATTFEDYLHNVVFV

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 5kqv Chain K Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5kqv How insulin engages its primary binding site on the insulin receptor.
• Resolution: 4.4 Å
• Binding residue (original residue number in PDB): Q513 N514
• Binding residue (residue number reindexed from 1): Q500 N501
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.10.1: receptor protein-tyrosine kinase.

External links

• PDB: RCSB:5kqv, PDBe:5kqv, PDBj:5kqv
• PDBsum: 5kqv
• PubMed: 23302862
• UniProt: P06213|INSR_HUMAN Insulin receptor (Gene Name=INSR)