Structure of PDB 1tv3 Chain A Binding Site BS01

Receptor Information
>1tv3 Chain A (length=457) Species: 2208 (Methanosarcina barkeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFRKSFDCYDFYDRAKVGEKCTQDDWDLMKIPMKAMELKQKYGLDFKGEF
IPTDKDMMEKLFKAGFEMLLECGIYCTDTHRIVKYTEDEIWDAINNVQKE
FVLGTGRDAVNVRKRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALEK
EVDTIVNGVMTSVRGKSPIPKSPYEVLAAKTETRLIKNACAMAGRPGMGV
KGPETSLSAQGNISADCTGGMTCTDSHEVSQLNELKIDLDAISVIAHYKG
NSDIIMDEQMPIFGGYAGGIEETTIVDVATHINAVLMSSASWHLDGPVHI
RWGSTNTRETLMIAGWACATISEFTDILSGNQYYPCAGPCTEMCLLEASA
QSITDTASGREILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEV
NVILDKLVSLYEKNYASAPAGKTFQECYDVKTVTPTEEYMQVYDGARKKL
EDLGLVF
Ligand information
Ligand IDBG4
InChIInChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1
InChIKeyPGYJBAGGGAUHGV-HSUXUTPPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1CC(NC1C(=O)O)N(C)O
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O
ACDLabs 10.04O=C(O)C1NC(N(O)C)CC1C
CACTVS 3.341C[CH]1C[CH](N[CH]1C(O)=O)N(C)O
CACTVS 3.341C[C@@H]1C[C@H](N[C@H]1C(O)=O)N(C)O
FormulaC7 H14 N2 O3
Name5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
ChEMBL
DrugBankDB01855
ZINCZINC000058626720
PDB chain1tv3 Chain A Residue 459 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1tv3 Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T131 V157 K202 E205 E229 E259 L295 Q333 S365
Binding residue
(residue number reindexed from 1)		T130 V156 K201 E204 E228 E258 L294 Q332 S364
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.248: [methylamine--corrinoid protein] Co-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0043852 monomethylamine methyltransferase activity
Biological Process
GO:0015948 methanogenesis
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tv3, PDBe:1tv3, PDBj:1tv3
PDBsum1tv3
PubMed15380192
UniProtO30642|MTMB1_METBA Monomethylamine methyltransferase MtmB1 (Gene Name=mtmB1)

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