Structure of PDB 7wzv Chain A Binding Site BS04

Receptor Information

>7wzv Chain A (length=300) Species: 68270 (Streptomyces spectabilis)

VRLADGKVRNPEGIEVNASLQCNMRCQSCAHLSPLYRRENADPAEIHDTL
SVLARSYHASYAKIMGGEPLLHPDVVGLIEAVRATGISDTVLVATNGTLL
HRATERFWQAVDSLEISVYPSRMIAPEEIERYRVLAREHGVSLLVNYYGH
FRAVYSESGTDAPDLVRDVFDTCKLAHFWNSHTVYDGWLYRCPQSVFMPR
QLRDGGWDPRVDGLRIEDDPAFLERLHRFLTADDPLRACRNCLGSVGKLH
PHQELPRAGWQVTEQLAALVDYPFLKVCKDDITADDGCVERSLSAPVGGA

Ligand information

• Ligand ID: 7P8
• InChI: InChI=1S/C14H28N2O7/c1-5-4-6(17)9(18)14(22-5)23-13-11(20)7(15-2)10(19)8(16-3)12(13)21/h5-21H,4H2,1-3H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1
• InChIKey: CXLUHLODGLESQP-SLGICJDNSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1CC(C(C(O1)OC2C(C(C(C(C2O)NC)O)NC)O)O)O
  OpenEye OEToolkits 2.0.7: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2[C@@H]([C@H](C([C@H]([C@@H]2O)NC)O)NC)O)O)O
  CACTVS 3.385: CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](O)[C@H]2O)[C@@H]1O
  CACTVS 3.385: CN[CH]1[CH](O)[CH](NC)[CH](O)[CH](O[CH]2O[CH](C)C[CH](O)[CH]2O)[CH]1O
• Formula: C14 H28 N2 O7
• Name: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol
• PDB chain: 7wzv Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wzv Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
• Resolution: 1.89931 Å
• Binding residue (original residue number in PDB): E17 H33 K65 M67 L177 W181 P195
• Binding residue (residue number reindexed from 1): E15 H31 K63 M65 L175 W179 P193
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:7wzv, PDBe:7wzv, PDBj:7wzv
• PDBsum: 7wzv
• PubMed: 35622017
• UniProt: A8WEZ7