Structure of PDB 6nyo Chain E Binding Site BS01

Receptor Information

>6nyo Chain E (length=78) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SHMQIFVKTLTGKTITLEVESSDTIDNVKSKIQDKEGIPPDQQRLIFAGK
QLEDGRTLSDYNIQKESTLHLVLRLRGG

Ligand information

Ligand ID

U94

InChI

InChI=1S/C20H21Cl2NO6/c1-29-10-17(24)23-16(18(25)19(26)20(27)28)6-11-2-4-12(5-3-11)13-7-14(21)9-15(22)8-13/h2-5,7-9,16,18-19,25-26H,6,10H2,1H3,(H,23,24)(H,27,28)/t16-,18-,19+/m0/s1

InChIKey

NTCBTNCWNRCBGX-YTQUADARSA-N

SMILES

Software	SMILES
ACDLabs 12.01	Clc2cc(c1ccc(cc1)CC(NC(=O)COC)C(O)C(O)C(=O)O)cc(Cl)c2
OpenEye OEToolkits 1.7.2	COCC(=O)NC(Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)C(C(C(=O)O)O)O
OpenEye OEToolkits 1.7.2	COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O
CACTVS 3.370	COCC(=O)N[CH](Cc1ccc(cc1)c2cc(Cl)cc(Cl)c2)[CH](O)[CH](O)C(O)=O
CACTVS 3.370	COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(Cl)cc(Cl)c2)[C@H](O)[C@@H](O)C(O)=O

Formula

C20 H21 Cl2 N O6

Name

4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid

PDB chain

6nyo Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6nyo Structural insights into E1 recognition and the ubiquitin-conjugating activity of the E2 enzyme Cdc34.
Resolution	1.502 Å
Binding residue (original residue number in PDB)	G47 K48
Binding residue (residue number reindexed from 1)	G49 K50
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6nyo, PDBe:6nyo, PDBj:6nyo
PDBsum	6nyo
PubMed	31341161
UniProt	P0CH08\|RL40A_YEAST Ubiquitin-ribosomal protein eL40A fusion protein (Gene Name=RPL40A)

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