Structure of PDB 6sr2 Chain A Binding Site BS01

Receptor Information

>6sr2 Chain A (length=128) Species: 9031 (Gallus gallus)

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCR

Ligand information

• Ligand ID: DO3
• InChI: InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1
• InChIKey: IQUHNCOJRJBMSU-CQSZACIVSA-N
• SMILES:
  CACTVS 3.341: C[CH](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O
  ACDLabs 10.04: O=C(O)CN1CCN(CCN(CCN(CC(O)C)CC1)CC(=O)O)CC(=O)O
  OpenEye OEToolkits 1.5.0: CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O
  CACTVS 3.341: C[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O
• Formula: C17 H32 N4 O7
• Name: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
• ZINC: ZINC000022016976
• PDB chain: 6sr2 Chain A Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sr2 Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): R5 W123
• Binding residue (residue number reindexed from 1): R5 W123
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E35 N46 D48 S50 D52 N59
• Catalytic site (residue number reindexed from 1): E35 N46 D48 S50 D52 N59
• Enzyme Commision number: 3.2.1.17: lysozyme.

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity

External links

• PDB: RCSB:6sr2, PDBe:6sr2, PDBj:6sr2
• PDBsum: 6sr2
• PubMed: 32286284
• UniProt: P00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)