Structure of PDB 8cp2 Chain B Binding Site BS03

Receptor Information

>8cp2 Chain B (length=600) Species: 1424099 (Streptomyces sp. V2)

MPLSVAVVGAGPRGTSVLERLCASAPELLAPGVRLTVHVVDPAPPGPGRV
WRTAQSEDLLMNTVASQVTLFTDESVNCSGPILAGPSLHEWADGAIGPDD
YPTRALYGRYLEWVFARTLRHAPPSVRVETHRARAVRLDDAADGRQHLAL
DNGRTLTGLSAVVLAQGHLPVRPSAAVLRDTEHADRHALRHIPPANPADV
DLTVISPGEPVLLRGLGLNFFDHMALLTTGRGGTYVREDGVLRYVPSGRE
PRVYAGSRRGLPYQARGDNAKGPYGRHLPEVLTPEAVSAFRKRADSGEAP
DFLRDIWPLVAKEVETVYYTALVRHPDFAPRYLSLPYGDPQEAELLAEFG
VDADARWDWERVSRPYAQREFAHRGEWRQWLLGYLRADAAEALRGNVDGP
LKAALDVLRDLRNELRLVVDHRGLRGDSRRDHLDRWYTPLNAFLSIGPPR
RRIEELTALLEAGVVEVLGPRLEVTREDGAWLARSPDVPGSAVRVTTLIE
ARLPEPDLGQTADALLAHLRETGQCRAHVVDGYTTGGIDVSARPYHLVDR
EGVAHPRRFAFGVPTEGVHWVTAAGARPGVDSVTLSDADAVARAVLRVAG

Ligand information

• Ligand ID: ASP
• InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
• InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(C(C(=O)O)N)C(=O)O
  OpenEye OEToolkits 1.7.0: C([C@@H](C(=O)O)N)C(=O)O
  CACTVS 3.370: N[CH](CC(O)=O)C(O)=O
  CACTVS 3.370: N[C@@H](CC(O)=O)C(O)=O
  ACDLabs 12.01: O=C(O)CC(N)C(=O)O
• Formula: C4 H7 N O4
• Name: ASPARTIC ACID
• ChEMBL: CHEMBL274323
• DrugBank: DB00128
• ZINC: ZINC000000895032
• PDB chain: 8cp2 Chain B Residue 703

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cp2 A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R412 N413 R416 R577 S582 V583
• Binding residue (residue number reindexed from 1): R412 N413 R416 R577 S582 V583
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding

External links

• PDB: RCSB:8cp2, PDBe:8cp2, PDBj:8cp2
• PDBsum: 8cp2
• PubMed: 37302552
• UniProt: A0A2V1NMV1