Structure of PDB 1x1d Chain A Binding Site BS01

Receptor Information
>1x1d Chain A (length=337) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNNDLLNYYHRANELVFKGLIEFSCMKAAIELDLFSHMAEGPKDLATLAA
DTGSVPPRLEMLLETLRQMRVINLEDGKWSLTEFADYMFSPTPKEPNLHQ
TPVAKAMAFLADDFYMGLSQAVRGQKNFKGQVPYPPVTREDNLYFEEIHR
SNAKFAIQLLLEEAKLDGVKKMIDVGGGIGDISAAMLKHFPELDSTILNL
PGAIDLVNENAAEKGVADRMRGIAVDIYKESYPEADAVLFCRILYSANEQ
LSTIMCKKAFDAMRSGGRLLILDMVIDDPENPNFDYLSHYILGAGMPFSV
LGFKEQARYKEILESLGYKDVTMVRKYDHLLVQAVKP
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 chain1x1d Chain A Residue 4261 [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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PDB1x1d Crystal Structures of BchU, a Methyltransferase Involved in Bacteriochlorophyll c Biosynthesis, and its Complex with S-adenosylhomocysteine: Implications for Reaction Mechanism.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E147 H150 G177 G179 I183 N200 L201 V226 D227 I228 C242 R243
Binding residue
(residue number reindexed from 1)		E146 H149 G176 G178 I182 N199 L200 V225 D226 I227 C241 R242
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.333: bacteriochlorophyllide d C-20 methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0030494 bacteriochlorophyll biosynthetic process
GO:0032259 methylation
GO:0036069 light-dependent bacteriochlorophyll biosynthetic process
GO:0036070 light-independent bacteriochlorophyll biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1x1d, PDBe:1x1d, PDBj:1x1d
PDBsum1x1d
PubMed16797589
UniProtQ8KGE0|BCHU_CHLTE Bacteriochlorophyllide d C-20 methyltransferase (Gene Name=bchU)

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