Structure of PDB 1tv4 Chain A Binding Site BS01

Receptor Information
>1tv4 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 IDBG3
InChIInChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1
InChIKeyPZCKFQRRNSACOM-MROZADKFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O
CACTVS 3.341C[CH]1C[CH](N[CH]1C(O)=O)[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)C1NC(C(=O)O)C(C)C1
OpenEye OEToolkits 1.5.0CC1CC(NC1C(=O)O)S(=O)(=O)O
CACTVS 3.341C[C@@H]1C[C@@H](N[C@H]1C(O)=O)[S](O)(=O)=O
FormulaC6 H11 N O5 S
Name3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID
ChEMBL
DrugBankDB02248
ZINCZINC000033821219
PDB chain1tv4 Chain A Residue 511 [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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PDB1tv4 Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T131 G132 V157 K202 E205 E229 E259 L295 Q333 Y335 S365
Binding residue
(residue number reindexed from 1)		T130 G131 V156 K201 E204 E228 E258 L294 Q332 Y334 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:1tv4, PDBe:1tv4, PDBj:1tv4
PDBsum1tv4
PubMed15380192
UniProtO30642|MTMB1_METBA Monomethylamine methyltransferase MtmB1 (Gene Name=mtmB1)

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