Structure of PDB 8id1 Chain A Binding Site BS01

Receptor Information

>8id1 Chain A (length=780) Species: 261299 (Intestinibacter bartlettii)

LDRIKRLKERVLNTRPEMDLENAVLLTRGFKESEGQPLAIQKAYSFRKQC
TEKTVKIWDDELIVGNSGSKQRGGLLNPDTCWSVLEDEIDTISERKYDPF
YLTDIDRKRFNEEIKPYWKGRSTFEKWLVQIPKETKILRDCGVLYINRKA
VRGWGETTAGYEMVINEGIEGIKRRIEETKNNLDITKSGHYEKLAYLKAL
SLVAEGIIILSKRYAKEAKRLAQLETDSKRKKELEIIAKTCDRVPEKPAR
TFREALQSLYFYQICIFMEQNAASYNPGRMDQYLYPYYKSDIESGRITKD
EAQELLDCLWVKFSEPCLFQDEVTAQFSAGYPMFQNVCVGGIDERGMDAV
NDLSFMILQATMDVQLYQPSLSVRYNMSRNSNAFLKKVAEVMKLGTGFPA
FHSDEVGIQMMLNKGIPMREAYNWNPCGCVETNLAGKQRCYTSYADYNLG
AIVEFVMNNGKSRKYNTQASIATGDPCTFETYNEFLGAVKNQIRYVIRAM
VAGSHVNDDIGFERICPALSLSFKECISSAKDYAWGGAKYNIGNGLDAIG
VADLVNSVYAVKYLVYDKKLISMEKLVKAISNDFEGYEEIQKMCLDVPKY
GNDDEEVNELTADLFTFIADLIESFSGKFGHMTAGILPVSGNTPFGLEVG
ALPSGRNAFVPLADGVSPTAGTDIEGMGAIIKSVSHIPHIRFNQGTLLNL
KLDPVFNQNANSTESLMAFLKSMCSLGVFHVQFNVIDKEVLLDAQKHPEN
YKGLLIRVAGYTAYFVELGKEVQDDIIART

Ligand information

• Ligand ID: 6IW
• InChI: InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
• InChIKey: FMIPNAUMSPFTHK-WHFBIAKZSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CN1CC(CC1C(=O)O)O
  CACTVS 3.385: CN1C[CH](O)C[CH]1C(O)=O
  CACTVS 3.385: CN1C[C@@H](O)C[C@H]1C(O)=O
  OpenEye OEToolkits 2.0.7: CN1C[C@H](C[C@H]1C(=O)O)O
• Formula: C6 H11 N O3
• Name: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
• PDB chain: 8id1 Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8id1 CRYSTAL STRUCTURE OF cis-N-Methylhydroxy-L-proline dehydratase in Intestinibacter bartlettii
• Resolution: 3.115 Å
• Binding residue (original residue number in PDB): R154 R158 E162 S280 E437
• Binding residue (residue number reindexed from 1): R148 R152 E156 S274 E431
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016829 lyase activity

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8id1, PDBe:8id1, PDBj:8id1
• PDBsum: 8id1
• UniProt: R5XYH7