Structure of PDB 6bsn Chain A Binding Site BS02

Receptor Information
>6bsn Chain A (length=973) Species: 224911 (Bradyrhizobium diazoefficiens USDA 110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPNIPPPFTAPYAPDDAEIAARLLPASHLSPPQEARIHRTATRLIEAIRK
RLGGVEDMLREFALSTKEGLALMVLAEALLRVPDARTADQFIEDKLGEGD
FIHHETKSTAFLVNASAWALIQPGETPDGTIGRLVKRLGAPAVRTATRQA
MRLMGNHFVLGETIEQALERGKPRSGQKTRYSFDMLGEGARTAADARRYF
DAYASAIETIGKAAGNHALPDRPGISVKLSALHPRFEAISRARVMVELVP
QLLDLAQRAKAHDLNFTVDAEEADRLELSLDVIAATLADPSLKGWDGFGL
AIQAYQKRASAVIDYVDALARAHDRKLMVRLVKGAYWDTEIKRAQERGLD
GYPVFTRKAMTDLNYVACASKLLALRPRIFPQFATHNALTVATVLEMAEG
SSGFEFQRLHGMGEALYEQLAKDHADIAYRTYAPVGSHRDLLAYLVRRLL
ENGANSSFVAQAADYRVPVPALLQRPADAIVRPQAAAHPRIPLPCDLFAP
ERRNSRGVEFGARTALDQLLTDVKAEIADATPDQAHAAVAAARAGFAGWS
RTPAGIRAAALEQAAHLLESRSAHFIALLQREGGKTLDDALSELREAADF
CRYYAAQGRKLFGSETAMPGPTGESNALTMRGRGVFVAISPWNFPLAIFL
GQVTAALMAGNSVVAKPAEQTPRIAREAVALLHEAGIPKSALYLVTGDGR
IGAALTAHPDIAGVVFTGSTEVARSINRALAAKDGPIVPLIAETGGINAM
IADATALPEQVADDVVTSAFRSAGQRASALRLLFVQEDVADRMIEMVAGA
ARELKIGDPSDVATHVGPVIDVEAKQRLDAHIARMKTEARLHFAGPAPEG
CFVAPHIFELTEAGQLTEEVFGPILHVVRYRPENLERVLRAIERTGYGLT
LGVHSRIDDSIEAIIDRVQVGNIYVNRNMIGAVVGVQPFGGNGLSGTGPK
AGGPHYLARFATEQTVTINTAAA
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 chain6bsn Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bsn Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		F659 R791 S793 I945 G946 A947 F954
Binding residue
(residue number reindexed from 1)		F644 R776 S778 I930 G931 A932 F939
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N658 E758 A792 A966
Catalytic site (residue number reindexed from 1) N643 E743 A777 A951
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
1.5.5.2: proline dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0004657 proline dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006560 proline metabolic process
GO:0006561 proline biosynthetic process
GO:0006562 proline catabolic process
GO:0010133 proline catabolic process to glutamate
Cellular Component
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bsn, PDBe:6bsn, PDBj:6bsn
PDBsum6bsn
PubMed29295473
UniProtQ89E26

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