Structure of PDB 3m7t Chain A Binding Site BS04

Receptor Information

>3m7t Chain A (length=198) Species: 69 (Lysobacter enzymogenes)

ANIVGGIAYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARIGGAV
VGTFAARVFPGNDRAWVSLTSAQTLLPRVANGSSFVTVRGSTEAAVGAAV
CRSGSTTGYQCGTITAKNVTANYAEGAVRGLTQGNACMGRGDSGGSWITS
AGQAQGVMSGGNVQSNGNNCGIPASQRSSLFERLQPILSQYGLSLVTG

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3m7t Chain A Residue 1005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3m7t The 0.83 A resolution crystal structure of alpha-lytic protease reveals the detailed structure of the active site and identifies a source of conformational strain.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): N12 T43 R45
• Binding residue (residue number reindexed from 1): N12 T43 R45
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): H36 D63 G141 S143 S159
• Catalytic site (residue number reindexed from 1): H36 D63 G141 S143 S159
• Enzyme Commision number: 3.4.21.12: alpha-lytic endopeptidase.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3m7t, PDBe:3m7t, PDBj:3m7t
• PDBsum: 3m7t
• UniProt: P00778|PRLA_LYSEN Alpha-lytic protease (Gene Name=alpha-LP)