Structure of PDB 7my9 Chain B Binding Site BS01

Receptor Information
>7my9 Chain B (length=1216) Species: 707241 (Sinorhizobium meliloti SM11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAPFADFAPPVRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDA
AASTARKLIEALRGKHSGSGVEGLVQEYSLSSQEGVALMCLAEALLRIPD
TATRDALIRDKIADGNWKSHRSLFVNAATWGLVVTGKLTSTVNDRSLAAA
LTRLISRCGEPVIRRGVDMAMRMMGEQFVTGETIREALKRSKELEEKGFS
YSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLS
ALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSL
DLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVR
LVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVF
PQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLD
RPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADP
VEVVRAMPVVGAKHDRIALPAELFGDARTNSAGLDLSNEETLASLTEALR
ESAAMKWTALPQLATGPAAGETRTVLNPGDHRDVVGSVTETSEEDARRAV
RLAADAAPDWAAVPPSERAACLDRAAELMQARMPTLLGLIIREAGKSALN
AIAEVREAIDFLRYYAEQTRRTLGPGHGPLGPIVCISPWNFPLAIFTGQI
AAALVAGNPVLAKPAEETPLIAAEGVRILREAGIPASALQLLPGDGRVGA
ALVAAAETAGVMFTGSTEVARLIQAQLADRLSPAGRPIPLIAETGGQNAM
IVDSSALAEQVVGDVITSAFDSAGQRCSALRVLCLQEDVADRILTMLKGA
LHELHIGRTDRLSVDVGPVITSEAKDNIEKHIERMRGLGRKVEQIGLASE
TGVGTFVPPTIIELEKLSDLQREVFGPVLHVIRYRRDDLDRLVDDVNATG
YGLTFGLHTRLDETIAHVTSRIKAGNLYINRNIIGAVVGVQPFGGRGLSG
TGPKAGGPLYLGRLVTTAPVPPQHSSVHTDPVLLDFAKWLDGKGARAEAE
AARNAGSSSALGLDLELPGPVGERNLYTLHARGRILLVPATESGLYHQLA
AALATGNSVAIDAASGLQASLKNLPQTVGLRVSWSKDWAADGPFAGALVE
GDAERIRAVNKAIAALPGPLLLVQAASSGEIARNPDAYCLNWLVEEVSAS
INTAAAGGNASLMAIG
Ligand information
Ligand IDUJD
InChIInChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
InChIKeyDSOVOUOPKYLGID-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C1SCCS1
OpenEye OEToolkits 2.0.7C1CSC(S1)C(=O)O
ACDLabs 12.01C(C1SCCS1)(O)=O
FormulaC4 H6 O2 S2
Name1,3-dithiolane-2-carboxylic acid
ChEMBLCHEMBL1982694
DrugBank
ZINCZINC000001684251
PDB chain7my9 Chain B Residue 1301 [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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PDB7my9 Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Resolution1.628 Å
Binding residue
(original residue number in PDB)		K265 D306 Y473 Y485 R488 R489
Binding residue
(residue number reindexed from 1)		K248 D289 Y456 Y468 R471 R472
Annotation score1
Enzymatic activity
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
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:7my9, PDBe:7my9, PDBj:7my9
PDBsum7my9
PubMed34542291
UniProtF7X6I3

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