Ligand · BKX

BKX · (1S,2R,3R,5R,6R,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-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)

BKX, (1S,2R,3R,5R,6R,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: BKX
Formula: C36 H50 Cl N3 O10 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BKX in 2 structures; the first of them:

7E4Q · Crystal structure of tubulin in complex with L-DM1-SMe · BKX D503 · binds ALA99, GLY100, ASN101, ASN102, LYS105, ASP179, THR180, VAL181 and 4 more
7E4Q · Crystal structure of tubulin in complex with L-DM1-sme · BKX D503 · binds ALA99, GLY100, ASN101, ASN102, LYS105, ASP179, THR180, VAL181 and 4 more

Residues it binds most

ASN 2, VAL 2, ALA 2, ASP 2, GLY 2, LYS 2, PHE 2, THR 2, TRP 2, TYR 2 (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
MES · 2-(N-morpholino)-ethanesulfonic acid

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