Brand  (β version)

PDB ID: 6AGK

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Ligands
Code Name Style Show Link
9WR [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone PoSSuM
ACP Phosphomethylphosphonic acid adenylate ester PoSSuM
CA Calcium ion PoSSuM
GDP Guanosine-5'-diphosphate PoSSuM
GTP Guanosine-5'-triphosphate PoSSuM
MES 2-(N-morpholino)-ethanesulfonic acid PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6AGK   PDBj   RCSB PDB   PDBe
Header : STRUCTURAL PROTEIN
Title : The structure of CH-II-77-tubulin complex
Release Data : 2019-08-21
Compound :
mol_id molecule chains synonym
1 Tubulin alpha-1B chain A,C Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain
mol_id molecule chains
2 Tubulin beta-2B chain B,D
mol_id molecule chains synonym
3 Stathmin-4 E Stathmin-like protein B3,RB3
mol_id molecule chains
4 Tubulin tyrosine ligase F
Source :
mol_id organism_scientific organism_common expression_system
1 Sus scrofa  (taxid:9823) Pig Escherichia coli  (taxid:562)
gene: TUBA1B
mol_id organism_scientific organism_common expression_system
2 Bos taurus  (taxid:9913) Bovine Escherichia coli  (taxid:562)
gene: TUBB2B
mol_id organism_scientific organism_common expression_system
3 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:562)
gene: Stmn4
mol_id organism_scientific organism_common expression_system
4 Gallus gallus  (taxid:9031) Chicken Escherichia coli  (taxid:562)
gene: TTL
Authors : Chen, H., Arnst, K., Wang, Y., Miller, D., Li, W.
Keywords : TUBULIN, COMPLEX, INHIBITOR, STRUCTURAL PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.

Chen, H.,Deng, S.,Wang, Y.  et al.
(2020)  J.Med.Chem.  63 : 827 - 846

PubMed: 31860298
DOI: 10.1021/acs.jmedchem.9b01815

Reaction

Chain : A, C
UniProt : Q2XVP4 (TBA1B_PIG)
Reaction: EC: Evidence:
Physiological Direction:
GTP + H2O = GDP + H(+) + phosphate - UniProtKB:P68363
left-to-right
Chain : B, D
UniProt : Q6B856 (TBB2B_BOVIN)
Reaction : -
Chain : E
UniProt : P63043 (STMN4_RAT)
Reaction : -
Chain : F
UniProt : E1BQ43
Reaction : -