Structure of PDB 2qaa Chain B Binding Site BS01

Receptor Information

>2qaa Chain B (length=185) Species: 1911 (Streptomyces griseus)

ISGGDAIYSSTGRCSLGFNVRSGSTYYFLTAGHCTDGATTWWANSARTTV
LGTTSGSSFPNNDYGIVRYTNTTIPKDGTVGGQDITSAANATVGMAVTRR
GSTTGTHSGSVTALNATVNYGGGDVVYGMIRTNVCAEPGDSGGPLYSGTR
AIGLTSGGSGNCSSGGTTFFQPVTEALSAYGVSVY

Ligand information

• Ligand ID: TYR
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
• InChIKey: OUYCCCASQSFEME-QMMMGPOBSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc1ccc(O)cc1
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)O
  CACTVS 3.341: N[CH](Cc1ccc(O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O)cc1)C(O)=O
• Formula: C9 H11 N O3
• Name: TYROSINE
• ChEMBL: CHEMBL925
• DrugBank: DB00135
• ZINC: ZINC000000266964
• PDB chain: 2qaa Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qaa 1.2A-resolution crystal structures reveal the second tetrahedral intermediates of streptogrisin B (SGPB).
• Resolution: 1.23 Å
• Binding residue (original residue number in PDB): H57 A192 E192A P192B G193 S195 G215 G216 S217
• Binding residue (residue number reindexed from 1): H33 A136 E137 P138 G139 S141 G157 G158 S159
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 G193 S195 S214
• Catalytic site (residue number reindexed from 1): H33 D63 G139 S141 S156
• Enzyme Commision number: 3.4.21.81: streptogrisin B.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2qaa, PDBe:2qaa, PDBj:2qaa
• PDBsum: 2qaa
• PubMed: 18157955
• UniProt: P00777|PRTB_STRGR Streptogrisin-B (Gene Name=sprB)