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Ligand · BKF

BKF · (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3, 5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate

BKF, (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3, 5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate (C32 H43 Cl N2…

Component
BKF
Formula
C32 H43 Cl N2 O9
Class
ligand
Structures
4
PDB entries
3

Binding sites

BKF in 4 structures; the first of them:

  • 7E4P · Crystal structure of tubulin in complex with Ansamitocin P3 · BKF D502 · binds GLY98, ASN99, ASN100, LYS103, THR178, VAL179, VAL180, PHE394 and 1 more
  • 8CLD · Ansamitocin P3 bound to tubulin (T2R-TTL) complex · BKF D502 · binds GLY98, ASN99, ASN100, LYS103, THR178, VAL179, VAL180, PHE394 and 1 more
  • 8CLH · Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound… · BKF D504 · binds ALA99, GLY100, ASN101, ASN102, LYS105, THR180, VAL181, VAL182 and 3 more
  • 7E4P · Crystal structure of tubulin in complex with ansamitocin P3 · BKF D502 · binds GLY98, ASN99, ASN100, LYS103, THR178, VAL179, VAL180, PHE394 and 1 more

Residues it binds most

ASN 4, VAL 4, GLY 4, LYS 4, PHE 4, THR 4, TRP 4, ALA 1, TYR 1 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • EP · Epothilone A
  • LOC · N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
  • POU · Peloruside A
  • VLB · (2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine

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