Structure of PDB 8qea Chain B Binding Site BS02

Receptor Information

>8qea Chain B (length=426) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLTSRGSLTVPELTQQMFDSKNMMAACDP
RHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCD
IPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDE
MEFTEAESNMNDLVSEYQQYQDATAD

Ligand information

Ligand ID

IBL

InChI

InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3

InChIKey

AIRZFEKQGRSBNX-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)/N=N\c2cc(c(c(c2)OC)OC)OC

Formula

C16 H18 N2 O5

Name

Azo-Combretastatin A4 (cis);
2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol

ChEMBL

DrugBank

ZINC

PDB chain

8qea Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8qea Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
Resolution	1.8 Å
Binding residue (original residue number in PDB)	C239 L240 A248 L253 N256 I316 N348 K350
Binding residue (residue number reindexed from 1)	C239 L240 A248 L253 N256 I311 N343 K345
Annotation score	1

External links

PDB	RCSB:8qea, PDBe:8qea, PDBj:8qea
PDBsum	8qea
PubMed
UniProt	Q6B856\|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

[Back to BioLiP]