Structure of PDB 1ici Chain A Binding Site BS01

Receptor Information
>1ici Chain A (length=256) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHHHHHHGSHMDEKLLKTIAESKYLVALTGAGVSAESGIPTFRGKDGLW
NRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERL
GVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNNSFEVESAPKI
PPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAV
VQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRH
VRKALS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1ici Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ici Crystal structure of a SIR2 homolog-NAD complex.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C124 C127 C145 C148
Binding residue
(residue number reindexed from 1)		C135 C138 C156 C159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P30 T31 F32 R33 N99 D101 H116
Catalytic site (residue number reindexed from 1) P41 T42 F43 R44 N110 D112 H127
Enzyme Commision number 2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0017136 NAD-dependent histone deacetylase activity
GO:0034979 NAD-dependent protein lysine deacetylase activity
GO:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0046872 metal ion binding
GO:0070403 NAD+ binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006476 protein deacetylation
GO:0036048 protein desuccinylation
GO:0036049 peptidyl-lysine desuccinylation
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:1ici, PDBe:1ici, PDBj:1ici
PDBsum1ici
PubMed11336676
UniProtO28597|NPD1_ARCFU NAD-dependent protein deacylase 1 (Gene Name=cobB1)

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