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Structure of PDB 2qaa Chain B Binding Site BS02

Receptor Information
>2qaa Chain B (length=185) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISGGDAIYSSTGRCSLGFNVRSGSTYYFLTAGHCTDGATTWWANSARTTV
LGTTSGSSFPNNDYGIVRYTNTTIPKDGTVGGQDITSAANATVGMAVTRR
GSTTGTHSGSVTALNATVNYGGGDVVYGMIRTNVCAEPGDSGGPLYSGTR
AIGLTSGGSGNCSSGGTTFFQPVTEALSAYGVSVY
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain2qaa Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2qaa 1.2A-resolution crystal structures reveal the second tetrahedral intermediates of streptogrisin B (SGPB).
Resolution1.23 Å
Binding residue
(original residue number in PDB)		H57 E192A P192B G193 S195 S214 G215
Binding residue
(residue number reindexed from 1)		H33 E137 P138 G139 S141 S156 G157
Annotation score4
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2qaa, PDBe:2qaa, PDBj:2qaa
PDBsum2qaa
PubMed18157955
UniProtP00777|PRTB_STRGR Streptogrisin-B (Gene Name=sprB)

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