Structure of PDB 1l3i Chain A Binding Site BS01

Receptor Information
>1l3i Chain A (length=186) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIPDDEFIKNPSVPGPTAMEVRCLIMCLAEPGKNDVAVDVGCGTGGVTLE
LAGRVRRVYAIDRNPEAISTTEMNLQRHGLGDNVTLMEGDAPEALCKIPD
IDIAVVGGSGGELQEILRIIKDKLKPGGRIIVTAILLETKFEAMECLRDL
GFDVNITELNIARGRALDRGTMMVSRNPVALIYTGV
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain1l3i Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l3i The Crystal Structure of Mt0146/CbiT Suggests that the Putative Precorrin-8W Decarboxylase is a Methyltransferase
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P14 P16 T17 G41 G43 T44 G46 D62 R63 A91 G108 S109 G110
Binding residue
(residue number reindexed from 1)		P14 P16 T17 G41 G43 T44 G46 D62 R63 A91 G108 S109 G110
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.196: cobalt-precorrin-6B (C(15))-methyltransferase [decarboxylating].
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0016740 transferase activity
GO:0043776 cobalt-precorrin-6B C5-methyltransferase activity
Biological Process
GO:0009236 cobalamin biosynthetic process
GO:0019251 anaerobic cobalamin biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1l3i, PDBe:1l3i, PDBj:1l3i
PDBsum1l3i
PubMed12429089
UniProtO26249|CBIT_METTH Probable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating) (Gene Name=cbiT)

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