Structure of PDB 6f2f Chain B Binding Site BS01

Receptor Information
>6f2f Chain B (length=166) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVLFLTANEFEDVELIYPYHRLKEEGHEVYIASFERGTITGKHGYSVKV
DLTFDKVNPEEFDALVLPGGRAPERVRLNEKAVSIARKMFSEGKPVASIC
HGPQILISAGVLRGRKGTSYPGIKDDMINAGVEWVDAEVVVDGNWVSSRV
PADLYAWMREFVKLLK
Ligand information
Ligand ID7MT
InChIInChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+7/p-2
InChIKeyJWLMJALAUZUFRC-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9
CACTVS 3.385O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34
FormulaC20 H23 N5 O4 Tb
NameTb-Xo4
ChEMBL
DrugBank
ZINC
PDB chain6f2f Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f2f Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		N9 F35 E36 R75
Binding residue
(residue number reindexed from 1)		N9 F35 E36 R75
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G70 R71 E74 C100 H101 Y120
Catalytic site (residue number reindexed from 1) G70 R71 E74 C100 H101 Y120
Enzyme Commision number 3.4.22.-
3.5.1.124: protein deglycase.
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
GO:0036524 protein deglycase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6f2f, PDBe:6f2f, PDBj:6f2f
PDBsum6f2f
PubMed29806881
UniProtO59413|DEGLY_PYRHO Deglycase PH1704 (Gene Name=PH1704)

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