Structure of PDB 7fmc Chain B Binding Site BS01

Receptor Information

>7fmc Chain B (length=300) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNTVPFTSAPIEVTIGIDQYSFNVKENQPFHGIKDIPIGHVHVIHFQHAD
NSSMRYGYWFDCRMGNFYIQYDPKDGLYKMMEERDGAKFENIVHNFKERQ
MMVSYPKIDEDDTWYNLTEFVQMDKIRKIVRKDENQFSYVDSSMTTVQEN
ELSDPAHSLNYTVINFKSREAIRPGHEMEDFLDKSYYLNTVMLQGIFKNS
SNYFGELQFAFLNAMFFGNYGSSLQWHAMIELICSSATVPKHMLDKLDEI
LYYQIKTLPEQYSDILLNERVWNICLYSSFQKNSLHNTEKIMENKYPELL

Ligand information

Ligand ID

VU5

InChI

InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1

InChIKey

ZMESCLLKMGZIBU-ZETCQYMHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CNCC(CN1CCCC1=O)O
CACTVS 3.385	CNC[CH](O)CN1CCCC1=O
ACDLabs 12.01	O=C1CCCN1CC(O)CNC
OpenEye OEToolkits 2.0.7	CNC[C@@H](CN1CCCC1=O)O
CACTVS 3.385	CNC[C@H](O)CN1CCCC1=O

Formula

C8 H16 N2 O2

Name

1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one

PDB chain

7fmc Chain B Residue 401 [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	7fmc Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.51 Å
Binding residue (original residue number in PDB)	K128 N177 T179 I213 F214 E223
Binding residue (residue number reindexed from 1)	K128 N160 T162 I196 F197 E206
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fmc, PDBe:7fmc, PDBj:7fmc
PDBsum	7fmc
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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