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Ligand · XQ4

XQ4 · (1S,2R,3S,5S,6S,16E,18E,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 (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)

XQ4, (1S,2R,3S,5S,6S,16E,18E,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…

Component
XQ4
Formula
C36 H51 Cl N4 O10
Class
ligand
Structures
2
PDB entries
1

Binding sites

XQ4 in 2 structures; the first of them:

  • 7L05 · Complex of novel maytansinoid M24 bound to T2R-TTL (two tubulin alpha/beta heterodimers… · XQ4 D503 · binds ALA97, GLY98, ASN99, ASN100, LYS103, ASP177, THR178, VAL179 and 4 more
  • 7L05 · Complex of novel maytansinoid M24 bound to T2R-ttl (two tubulin ALPHA/BETA heterodimers… · XQ4 D503 · binds GLY98, ASN99, ASN100, LYS103, ASP177, THR178, VAL179, VAL180 and 3 more

Residues it binds most

ASN 2, VAL 2, ASP 2, GLY 2, LYS 2, PHE 2, THR 2, TRP 2, TYR 2, ALA 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
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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