Structure of PDB 2amf Chain A Binding Site BS01

Receptor Information
>2amf Chain A (length=257) Species: 160490 (Streptococcus pyogenes M1 GAS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKIGIIGVGKMASAIIKGLKQTPHELIISGSSLERSKEIAEQLALPYAM
SHQDLIDQVDLVILGIKPQLFETVLKPLHFKQPIISMAAGISLQRLATFV
GQDLPLLRIMPNMNAQILQSSTALTGNALVSQELQARVRDLTDSFGSTFD
ISEKDFDTFTALAGSSPAYIYLFIEALAKAGVKNGIPKAKALEIVTQTVL
ASASNLKTSSQSPHDFIDAICSPGGTTIAGLMELERLGLTATVSSAIDKT
IDKAKSL
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain2amf Chain A Residue 4333 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2amf Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S221 G224 T225 T226
Binding residue
(residue number reindexed from 1)		S222 G225 T226 T227
Annotation score5
Enzymatic activity
Enzyme Commision number 1.5.1.2: pyrroline-5-carboxylate reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004735 pyrroline-5-carboxylate reductase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006561 proline biosynthetic process
GO:0055129 L-proline biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2amf, PDBe:2amf, PDBj:2amf
PDBsum2amf
PubMed16233902
UniProtQ9A1S9

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