Structure of PDB 5xqo Chain B Binding Site BS02

Receptor Information

>5xqo Chain B (length=881) Species: 5076 (Penicillium chrysogenum)

NCTSSSATVHWLGDKPTYHAGVTFGLPWPQGKYRPQETSFSLTLQSWATG
YWADGSLKWTAHAIAESNQIYDQYTVTASSLGCSIVVTDNSDALTVNTGE
VAVSFPKGGNVIIGDIKTKSGKVIGANGRLVLQSQDSVPDNFDNRANSPI
QYSNFDGNINEVFVNQTSARTLVTVRGNHTVTDGTDHDPWLPFVVRFYLY
ANSATIKVMHSIVFDGDENDFITGLGIRFDVPLKGEEYYDRHIRFAGVDG
GIFNEAVQGITGLRRDPGEEIRAAQFAGQKLADTETWEPRVSTRLKWIPT
WADYGLTQLTADGFGLKKRTKAGQSWVNIPSGTRAEGLAYLGGATQGGLA
VGLRDFWKRYPVGLDISNAASDTGELTLWLYSPAAEPLDLRPFHDGLGQD
GYEDQLDALEITFEDWEPGFDTPYGIARTSEVYLFAFDQTPTSDKLASLT
AYMNDPPVLVAEPKYIHETQALGEYWALPGSASPAAATLEDRLQFIFDFY
KGQIEQRRWYGFLDYGDFMHTYDPDRHTWRYDVGGYAWDNSELSPDLFFW
LYFLRTGSKDAYRFAEALTRHTGEVDVYHIGDWKGLGTRHGVQHWSDSAK
QARISQPQYRKYFFYLSGGDERVGELLEELLDTDKTYGELDPQRKVRTDG
WEPSPNSTVSFGLGTDWSGLAAGWLIEWERRGPRWEEAKTKLTNTIAGIA
NLTNGFVTGSGLYDPVTWTLGPPPSDPGNRGNVSISHLNAVFGLPEVVSE
AIAYLADDIPKGFKQAWLDYCYYYHASASEQKDRYGVSFSISLLQAHSRL
AAYAAYETKNKTLALRAWKDFYASDGLLPDAPWNITHVDGSDVLVPVDEA
AWLATNDIAQYGLAVIQNLAYVSDSLDDYQS

Ligand information

• Ligand ID: RAM
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-HGVZOGFYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-rhamnopyranose;
  alpha-L-rhamnose;
  6-deoxy-alpha-L-mannopyranose;
  L-rhamnose;
  rhamnose
• ZINC: ZINC000003861280
• PDB chain: 5xqo Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xqo Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): D460 Q646 R648
• Binding residue (residue number reindexed from 1): D415 Q601 R603
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:5xqo, PDBe:5xqo, PDBj:5xqo
• PDBsum: 5xqo
• PubMed: 29574769
• UniProt: B6H7Q7